4-[[2-acetamido-4-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-5-methoxy-2-methyl-phenyl]diazenyl]-5-sulfo-phenyl]diazenyl]benzoic acid

Systemtic Name: 4-[[2-acetamido-4-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-5-methoxy-2-methyl-phenyl]diazenyl]-5-sulfo-phenyl]diazenyl]benzoic acid Openeye Name: 4-[2-acetamido-4-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-5-methoxy-2-methyl-phenyl]azo-5-sulfo-phenyl]azobenzoic acid CAS Name: 4-[2-acetamido-4-[4-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azo-5-methoxy-2-methylphenyl]azo-5-sulfophenyl]azobenzoic acid IUPAC Name: 4-[[2-acetamido-4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-sulfophenyl]diazenyl]benzoic acid Traditional Name: 4-[2-acetamido-4-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-5-methoxy-2-methyl-phenyl]azo-5-sulfo-phenyl]azobenzoic acid Formula: C37H33N9O8S MolecularWeight: 763.77842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)C(=O)O)NC(=O)C)OC)N=NC4=C(C=C(C=C4)NC(=O)C5=CC=C(C=C5)N)C

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)C(=O)O)NC(=O)C)OC)N=NC4=C(C=C(C=C4)NC(=O)C5=CC=C(C=C5)N)C

InChI

InChI=1S/C37H33N9O8S/c1-20-15-27(40-36(48)23-5-9-25(38)10-6-23)13-14-28(20)42-45-32-16-21(2)29(18-34(32)54-4)43-46-33-17-30(39-22(3)47)31(19-35(33)55(51,52)53)44-41-26-11-7-24(8-12-26)37(49)50/h5-19H,38H2,1-4H3,(H,39,47)(H,40,48)(H,49,50)(H,51,52,53)