sodium 4-[5-methyl-4-[2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: sodium 4-[5-methyl-4-[2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: sodium 4-[5-methyl-4-[2-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: sodium 4-[5-methyl-4-[2-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: sodium 4-[5-methyl-4-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: sodium 4-[5-keto-4-[N'-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-3-pyrazolin-1-yl]besylate Formula: C16H12N5NaO7S MolecularWeight: 441.35055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])NN=C3C=C(C=CC3=O)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])NN=C3C=C(C=CC3=O)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,18-19H,1H3,(H,26,27,28);/q;+1/p-1