sodium 8-[(3-methylphenyl)diazenyl]-5-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalene-2-sulfonate

Systemtic Name: sodium 8-[(3-methylphenyl)diazenyl]-5-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Openeye Name: sodium 8-(m-tolylazo)-5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]naphthalene-2-sulfonate CAS Name: sodium 8-(3-methylphenyl)azo-5-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-naphthalenesulfonate IUPAC Name: sodium 8-[(3-methylphenyl)diazenyl]-5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Traditional Name: sodium 5-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-8-(m-tolylazo)naphthalene-2-sulfonate Formula: C23H17N4NaO4S MolecularWeight: 468.46025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=NC2=C3C=C(C=CC3=C(C=C2)NN=C4C=CC(=O)C=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)N=NC2=C3C=C(C=CC3=C(C=C2)NN=C4C=CC(=O)C=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H18N4O4S.Na/c1-15-3-2-4-17(13-15)25-27-23-12-11-22(26-24-16-5-7-18(28)8-6-16)20-10-9-19(14-21(20)23)32(29,30)31;/h2-14,26H,1H3,(H,29,30,31);/q;+1/p-1