Ketcher 11041515062D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 17.2014 -8.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3352 -8.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2014 -9.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 -8.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3352 -10.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 -9.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3352 -11.4034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 -11.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8352 -12.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3352 -11.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3352 -7.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 -6.8155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1442 -6.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8352 -5.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8351 -5.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2473 -5.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0954 -7.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4228 -5.0552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4175 -5.1597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0051 -4.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5984 -3.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9997 -4.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1860 -2.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5873 -3.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1806 -2.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 -8.4034 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.0673 -10.4034 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.7682 -1.9234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.7628 -2.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9591 -1.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8727 -0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 4 2 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 2 0 0 0 2 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 7 2 0 0 0 10 7 2 0 0 0 12 11 1 0 0 0 13 11 1 0 0 0 14 12 2 0 0 0 15 13 2 0 0 0 15 14 1 0 0 0 2 11 1 0 0 0 14 16 1 0 0 0 13 17 1 0 0 0 15 18 1 0 0 0 18 19 2 3 0 0 21 20 1 0 0 0 22 20 2 0 0 0 23 21 2 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 25 24 2 0 0 0 19 20 1 0 0 0 4 26 1 0 0 0 3 27 1 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 30 28 2 0 0 0 31 28 2 0 0 0 M END > CHEBI:90210 > lissamine fast yellow (acid form) > An arenesulfonic acid that is 2,5-dichloro-4-(pyrazol-1-yl)benzene-1-sulfonic acid in which the pyrazole ring is substituted by methyl, (4-sulfophenyl)diazenyl and hydroxy groups at positions 3, 4, and 5 respctively. The disodium salt is the biological stain 'lissamine fast yellow'. > 3 > lissamine fast yellow free acid > 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(4-sulfophenyl)diazenyl]pyrazol-1-yl}benzene-1-sulfonic acid > C16H12Cl2N4O7S2 > 507.328 > 505.95245 > 0 > C1=C(C(=CC(=C1N2N=C(C(=C2O)N=NC=3C=CC(=CC3)S(O)(=O)=O)C)Cl)S(O)(=O)=O)Cl > InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29) > SWTAMHBAAIVEKW-UHFFFAOYSA-N $$$$