sodium 6-azanylidene-5-[[3-carboxy-5-methyl-4-[2-(4-phenylphenyl)hydrazinyl]oxy-phenyl]diazenyl]-7-methyl-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium 6-azanylidene-5-[[3-carboxy-5-methyl-4-[2-(4-phenylphenyl)hydrazinyl]oxy-phenyl]diazenyl]-7-methyl-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium 5-[3-carboxy-5-methyl-4-[2-(4-phenylphenyl)hydrazino]oxy-phenyl]azo-6-imino-7-methyl-4-oxo-naphthalene-2-sulfonate CAS Name: sodium 5-[3-carboxy-5-methyl-4-[(4-phenylphenyl)hydrazo]oxyphenyl]azo-6-imino-7-methyl-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium 5-[[3-carboxy-5-methyl-4-[2-(4-phenylphenyl)hydrazinyl]oxyphenyl]diazenyl]-6-imino-7-methyl-4-oxonaphthalene-2-sulfonate Traditional Name: sodium 5-[3-carboxy-5-methyl-4-[N'-(4-phenylphenyl)hydrazino]oxy-phenyl]azo-6-imino-4-keto-7-methyl-naphthalene-2-sulfonate Formula: C31H24N5NaO7S MolecularWeight: 633.60633

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C31H25N5O7S.Na/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);/q;+1/p-1