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

Systemtic Name: sodium 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[5-keto-4-[(N'E)-N'-(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-2-pyrazolin-1-yl]besylate Formula: C17H14N5NaO7S MolecularWeight: 455.37713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)C(=O)C(=C1)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C/C(=N\NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)/C(=O)C(=C1)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C17H15N5O7S.Na/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;/h3-8,15,19H,1-2H3,(H,27,28,29);/q;+1/p-1/b18-13+;