8-[(4-methylphenyl)amino]-5-[4-[(4-methylphenyl)amino]-5-sulfo-naphthalen-1-yl]naphthalene-1-sulfonic acid

Systemtic Name: 8-[(4-methylphenyl)amino]-5-[4-[(4-methylphenyl)amino]-5-sulfo-naphthalen-1-yl]naphthalene-1-sulfonic acid Openeye Name: 8-(4-methylanilino)-5-[4-(4-methylanilino)-5-sulfo-1-naphthyl]naphthalene-1-sulfonic acid CAS Name: 8-(4-methylanilino)-5-[4-(4-methylanilino)-5-sulfo-1-naphthalenyl]-1-naphthalenesulfonic acid IUPAC Name: 8-(4-methylanilino)-5-[4-(4-methylanilino)-5-sulfonaphthalen-1-yl]naphthalene-1-sulfonic acid Traditional Name: 8-(p-toluidino)-5-[4-(p-toluidino)-5-sulfo-1-naphthyl]naphthalene-1-sulfonic acid Formula: C34H28N2O6S2 MolecularWeight: 624.72592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=C(C=C6)C)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=C(C=C6)C)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C34H28N2O6S2/c1-21-9-13-23(14-10-21)35-29-19-17-25(27-5-3-7-31(33(27)29)43(37,38)39)26-18-20-30(36-24-15-11-22(2)12-16-24)34-28(26)6-4-8-32(34)44(40,41)42/h3-20,35-36H,1-2H3,(H,37,38,39)(H,40,41,42)