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2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfo-phenyl]ethenyl]-5-methyl-benzenesulfonic acid
2-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)-2-sulfo-phenyl]ethenyl]-5-methyl-benzenesulfonic acid
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Canonical SMILES:
CC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)C3C4=CC=CC=C4CN3)S(=O)(=O)O)S(=O)(=O)O
Isomeric SMILES
CC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)C3C4=CC=CC=C4CN3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C23H21NO6S2/c1-15-6-7-16(21(12-15)31(25,26)27)8-9-17-10-11-18(13-22(17)32(28,29)30)23-20-5-3-2-4-19(20)14-24-23/h2-13,23-24H,14H2,1H3,(H,25,26,27)(H,28,29,30)/b9-8+
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- 4-[(E)-2-[4-(2,3-dihydro-1H-isoindol-1-yl)phenyl]ethenyl]benzenesulfonic acid