sodium 5-[(2E)-2-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-8-phenyldiazenyl-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[(2E)-2-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-8-phenyldiazenyl-naphthalene-2-sulfonate Openeye Name: sodium 5-[(2E)-2-(2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-8-phenylazo-naphthalene-2-sulfonate CAS Name: sodium 5-[(2E)-2-(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-8-phenyldiazenyl-2-naphthalenesulfonate IUPAC Name: sodium 5-[(2E)-2-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-8-phenyldiazenylnaphthalene-2-sulfonate Traditional Name: sodium 5-[(N'E)-N'-(4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)hydrazino]-8-phenylazo-naphthalene-2-sulfonate Formula: C23H17N4NaO4S MolecularWeight: 468.46025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=CC1=NNC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=CC=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC\1=CC(=O)C=C/C1=N\NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=CC=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H18N4O4S.Na/c1-15-13-17(28)7-10-21(15)25-27-22-11-12-23(26-24-16-5-3-2-4-6-16)20-14-18(32(29,30)31)8-9-19(20)22;/h2-14,27H,1H3,(H,29,30,31);/q;+1/p-1/b25-21+,26-24?;