4-[(2E)-2-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-(3,5-dimethyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-nitro-benzenesulfonic acid Openeye Name: 4-[(2E)-2-(3,5-dimethyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-nitro-benzenesulfonic acid CAS Name: 4-[(2E)-2-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[(2E)-2-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonic acid Traditional Name: 4-[(N'E)-N'-(6-keto-3,5-dimethyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-nitro-besylic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])C(=O)C(=C1)C

Isomeric SMILES

CC1=C/C(=N\NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])/C(=O)C(=C1)C

InChI

InChI=1S/C14H13N3O6S/c1-8-5-9(2)14(18)12(6-8)16-15-11-4-3-10(24(21,22)23)7-13(11)17(19)20/h3-7,15H,1-2H3,(H,21,22,23)/b16-12+