8-[(4-methylphenyl)amino]-5-[(4-phenyldiazenyl-7-sulfo-naphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 8-[(4-methylphenyl)amino]-5-[(4-phenyldiazenyl-7-sulfo-naphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid Openeye Name: 8-(4-methylanilino)-5-[(4-phenylazo-7-sulfo-1-naphthyl)azo]naphthalene-1-sulfonic acid CAS Name: 8-(4-methylanilino)-5-[(4-phenyldiazenyl-7-sulfo-1-naphthalenyl)azo]-1-naphthalenesulfonic acid IUPAC Name: 8-(4-methylanilino)-5-[(4-phenyldiazenyl-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid Traditional Name: 5-[(4-phenylazo-7-sulfo-1-naphthyl)azo]-8-(p-toluidino)naphthalene-1-sulfonic acid Formula: C33H25N5O6S2 MolecularWeight: 651.7115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N=NC6=CC=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N=NC6=CC=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C33H25N5O6S2/c1-21-10-12-22(13-11-21)34-31-19-18-29(26-8-5-9-32(33(26)31)46(42,43)44)37-38-30-17-16-28(36-35-23-6-3-2-4-7-23)25-15-14-24(20-27(25)30)45(39,40)41/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44)