[8-(2-carboxyphenyl)-5-[(2-methyl-4-sulfo-phenyl)amino]xanthen-3-ylidene]-(2-methylphenyl)azanium

Systemtic Name: [8-(2-carboxyphenyl)-5-[(2-methyl-4-sulfo-phenyl)amino]xanthen-3-ylidene]-(2-methylphenyl)azanium Openeye Name: [8-(2-carboxyphenyl)-5-(2-methyl-4-sulfo-anilino)xanthen-3-ylidene]-(o-tolyl)ammonium CAS Name: [8-(2-carboxyphenyl)-5-(2-methyl-4-sulfoanilino)-3-xanthenylidene]-(2-methylphenyl)ammonium IUPAC Name: [8-(2-carboxyphenyl)-5-(2-methyl-4-sulfoanilino)xanthen-3-ylidene]-(2-methylphenyl)azanium Traditional Name: [8-(2-carboxyphenyl)-5-(2-methyl-4-sulfo-anilino)xanthen-3-ylidene]-(o-tolyl)ammonium Formula: C34H27N2O6S+ MolecularWeight: 591.65298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[NH+]=C2C=CC3=CC4=C(C=CC(=C4OC3=C2)NC5=C(C=C(C=C5)S(=O)(=O)O)C)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CC1=CC=CC=C1[NH+]=C2C=CC3=CC4=C(C=CC(=C4OC3=C2)NC5=C(C=C(C=C5)S(=O)(=O)O)C)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C34H26N2O6S/c1-20-7-3-6-10-29(20)35-23-12-11-22-18-28-26(25-8-4-5-9-27(25)34(37)38)14-16-31(33(28)42-32(22)19-23)36-30-15-13-24(17-21(30)2)43(39,40)41/h3-19,36H,1-2H3,(H,37,38)(H,39,40,41)/p+1