[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate

Systemtic Name: [(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Openeye Name: [(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c1-9-7-11(8-10(2)14(9)17)15-22-23(20,21)13-5-3-12(4-6-13)16(18)19/h3-8H,1-2H3