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

Systemtic Name: [(Z)-(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(Z)-(2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(Z)-(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(Z)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(Z)-(4-keto-2,5-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=CC(=C2)[N+](=O)[O-])C(=CC1=O)C

Isomeric SMILES

CC1=C/C(=N/OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/C(=CC1=O)C

InChI

InChI=1S/C14H12N2O6S/c1-9-7-14(17)10(2)6-13(9)15-22-23(20,21)12-5-3-4-11(8-12)16(18)19/h3-8H,1-2H3/b15-13-