[(2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate

Systemtic Name: [(2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(2,6-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(4-keto-2,6-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(=O)C=C(C1=NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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