2,4-bis(azanyl)-5-[2-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: 2,4-bis(azanyl)-5-[2-(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: 2,4-diamino-5-[2-(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: 2,4-diamino-5-[2-(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: 2,4-diamino-5-[2-(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: 2,4-diamino-5-[N'-(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylate Formula: C12H9N6O8S- MolecularWeight: 397.30026

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1=NNC2=CC(=C(C=C2N)N)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=O)C1=NNC2=CC(=C(C=C2N)N)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O8S/c13-6-3-7(14)11(27(24,25)26)4-8(6)15-16-9-1-5(17(20)21)2-10(12(9)19)18(22)23/h1-4,15H,13-14H2,(H,24,25,26)/p-1