5-[(2-azanylidene-3-methyl-8-oxidanylidene-6-sulfo-naphthalen-1-yl)diazenyl]-3-methyl-2-[2-(4-phenylphenyl)hydrazinyl]oxy-benzoic acid

Systemtic Name: 5-[(2-azanylidene-3-methyl-8-oxidanylidene-6-sulfo-naphthalen-1-yl)diazenyl]-3-methyl-2-[2-(4-phenylphenyl)hydrazinyl]oxy-benzoic acid Openeye Name: 5-[(2-imino-3-methyl-8-oxo-6-sulfo-1-naphthyl)azo]-3-methyl-2-[2-(4-phenylphenyl)hydrazino]oxy-benzoic acid CAS Name: 5-[(2-imino-3-methyl-8-oxo-6-sulfo-1-naphthalenyl)azo]-3-methyl-2-[(4-phenylphenyl)hydrazo]oxybenzoic acid IUPAC Name: 5-[(2-imino-3-methyl-8-oxo-6-sulfonaphthalen-1-yl)diazenyl]-3-methyl-2-[2-(4-phenylphenyl)hydrazinyl]oxybenzoic acid Traditional Name: 5-[(2-imino-8-keto-3-methyl-6-sulfo-1-naphthyl)azo]-3-methyl-2-[N'-(4-phenylphenyl)hydrazino]oxy-benzoic acid Formula: C31H25N5O7S MolecularWeight: 611.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=O)C2=C(C1=N)N=NC3=CC(=C(C(=C3)C(=O)O)ONNC4=CC=C(C=C4)C5=CC=CC=C5)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=CC(=CC(=O)C2=C(C1=N)N=NC3=CC(=C(C(=C3)C(=O)O)ONNC4=CC=C(C=C4)C5=CC=CC=C5)C)S(=O)(=O)O

InChI

InChI=1S/C31H25N5O7S/c1-17-12-21-14-24(44(40,41)42)16-26(37)27(21)29(28(17)32)35-33-23-13-18(2)30(25(15-23)31(38)39)43-36-34-22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-16,32,34,36H,1-2H3,(H,38,39)(H,40,41,42)