sodium 5-[(2E)-2-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-8-phenylazanyl-naphthalene-1-sulfonate

Systemtic Name: sodium 5-[(2E)-2-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-8-phenylazanyl-naphthalene-1-sulfonate Openeye Name: sodium 8-anilino-5-[(2E)-2-(3-methyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]naphthalene-1-sulfonate CAS Name: sodium 8-anilino-5-[(2E)-2-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-1-naphthalenesulfonate IUPAC Name: sodium 8-anilino-5-[(2E)-2-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]naphthalene-1-sulfonate Traditional Name: sodium 8-anilino-5-[(N'E)-N'-(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]naphthalene-1-sulfonate Formula: C23H17N4NaO6S MolecularWeight: 500.45905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=C3C=CC=C(C3=C(C=C2)NC4=CC=CC=C4)S(=O)(=O)[O-])C(=O)C(=C1)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C/C(=N\NC2=C3C=CC=C(C3=C(C=C2)NC4=CC=CC=C4)S(=O)(=O)[O-])/C(=O)C(=C1)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C23H18N4O6S.Na/c1-14-12-19(23(28)20(13-14)27(29)30)26-25-17-10-11-18(24-15-6-3-2-4-7-15)22-16(17)8-5-9-21(22)34(31,32)33;/h2-13,24-25H,1H3,(H,31,32,33);/q;+1/p-1/b26-19+;