Test cases for Bug 95067 – InChIs

InChIs do NOT wrap well in Firefox 3.0.1, which has a horizontal scrollbar even at 1280 pixels wide.

They seem to be causing the problems with wrapping in the Compendium of Pesticide Common Names. Problems formerly caused by systematic names seem to have been fixed in Firefox 3.0.

Firefox 3.5 includes support for the CSS3 properties text-wrap and word-wrap, and these can be used to make InChIs wrap nicely.

The sample InChIs in this file wrap nicely in Internet Explorer 5.5+ and Safari 2+ even when the browser window is made quite narrow. They wrap less well in Opera 9.26, where a horizontal scoll bar appears at about 550 pixels wide, and wrapping has deteriorated in Opera 9.52.

The horizontal lines in InChIs are specified as the ASCII hyphen-minus (decimal 45 or hexadecimal 0x2D). It would be contrary to the specification to use a true minus sign or any sort of dash.

There are already millions of web pages containing InChIs. Note that one database, PubChem, forces wrapping by detecting Firefox etcetera and inserting <br> tags!

The examples are repeated 4 times:

  1. No style applied to InChIs
  2. InChI style: text-wrap:normal; word-wrap:break-word (supported in Firefox 3.5)
  3. InChI style: text-wrap:normal; word-wrap:break-word (in a table cell)
  4. InChI style: text-wrap:unrestricted

1) No style applied to InChIs

abamectin

avermectin B1a (6′-(S)-sec-butyl)
InChI=1/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24h3,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

aldrin

InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3h3/t4-,5+,6+,7-,10+,11-

aminopyralid

InChI=1/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(h3,9,10)(H,11,12)/f/h11H,9h3

chloralose

InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h3-7,12-14H,1h3/t2-,3+,4-,5-,6-,7-/m1/s1

chlorphoxim

InChI=1/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4h3,1-2H3/b15-12?

cypermethrin

sp3 tetrahedral stereochemistry not specified: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

cypermethrin

all combinations of (R)- and (S)-stereoisomers: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18?,20?

endrin

InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h3-7H,1h3/t2-,3+,4-,5+,6-,7+,10-,11+

fenbutatin oxide

InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1h3,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48h3,1-12H3

hemel

InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3

morfamquat dichloride

InChI=1/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18h3,1-4H3;2*1H/q+2;;/p-2/fC26H36N4O4.2Cl/h;2*1h/qm;2*-1

spinetoram

major component (4,5-dihydro): InChI=1/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h31,23-32,34-35,37,39-42H,10-20,22h3,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1


2) InChI style: text-wrap:normal; word-wrap:break-word

abamectin

avermectin B1a (6′-(S)-sec-butyl)
InChI=1/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24h3,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

aldrin

InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3h3/t4-,5+,6+,7-,10+,11-

aminopyralid

InChI=1/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(h3,9,10)(H,11,12)/f/h11H,9h3

chloralose

InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h3-7,12-14H,1h3/t2-,3+,4-,5-,6-,7-/m1/s1

chlorphoxim

InChI=1/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4h3,1-2H3/b15-12?

cypermethrin

sp3 tetrahedral stereochemistry not specified: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

cypermethrin

all combinations of (R)- and (S)-stereoisomers: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18?,20?

endrin

InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h3-7H,1h3/t2-,3+,4-,5+,6-,7+,10-,11+

fenbutatin oxide

InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1h3,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48h3,1-12H3

hemel

InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3

morfamquat dichloride

InChI=1/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18h3,1-4H3;2*1H/q+2;;/p-2/fC26H36N4O4.2Cl/h;2*1h/qm;2*-1

spinetoram

major component (4,5-dihydro): InChI=1/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h31,23-32,34-35,37,39-42H,10-20,22h3,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1


2) InChI style: text-wrap:normal; word-wrap:break-word (in a table cell)

abamectin

avermectin B1a (6′-(S)-sec-butyl)
InChI=1/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24h3,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

aldrin

InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3h3/t4-,5+,6+,7-,10+,11-

aminopyralid

InChI=1/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(h3,9,10)(H,11,12)/f/h11H,9h3

chloralose

InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h3-7,12-14H,1h3/t2-,3+,4-,5-,6-,7-/m1/s1

chlorphoxim

InChI=1/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4h3,1-2H3/b15-12?

cypermethrin

sp3 tetrahedral stereochemistry not specified: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

cypermethrin

all combinations of (R)- and (S)-stereoisomers: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18?,20?

endrin

InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h3-7H,1h3/t2-,3+,4-,5+,6-,7+,10-,11+

fenbutatin oxide

InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1h3,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48h3,1-12H3

hemel

InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3

morfamquat dichloride

InChI=1/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18h3,1-4H3;2*1H/q+2;;/p-2/fC26H36N4O4.2Cl/h;2*1h/qm;2*-1

spinetoram

major component (4,5-dihydro): InChI=1/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h31,23-32,34-35,37,39-42H,10-20,22h3,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1

4) InChI style: text-wrap:unrestricted

abamectin

avermectin B1a (6′-(S)-sec-butyl)
InChI=1/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24h3,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

aldrin

InChI=1/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3h3/t4-,5+,6+,7-,10+,11-

aminopyralid

InChI=1/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(h3,9,10)(H,11,12)/f/h11H,9h3

chloralose

InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h3-7,12-14H,1h3/t2-,3+,4-,5-,6-,7-/m1/s1

chlorphoxim

InChI=1/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4h3,1-2H3/b15-12?

cypermethrin

sp3 tetrahedral stereochemistry not specified: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

cypermethrin

all combinations of (R)- and (S)-stereoisomers: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18?,20?

endrin

InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h3-7H,1h3/t2-,3+,4-,5+,6-,7+,10-,11+

fenbutatin oxide

InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1h3,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48h3,1-12H3

hemel

InChI=1/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3

morfamquat dichloride

InChI=1/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18h3,1-4H3;2*1H/q+2;;/p-2/fC26H36N4O4.2Cl/h;2*1h/qm;2*-1

spinetoram

major component (4,5-dihydro): InChI=1/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h31,23-32,34-35,37,39-42H,10-20,22h3,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1