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

Systemtic Name: [(E)-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(E)-(2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(E)-(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(E)-(4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=CC(=O)C=C/C1=N\OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S/c1-9-7-11(16)5-6-13(9)14-21-22(19,20)12-4-2-3-10(8-12)15(17)18/h2-8H,1H3/b14-13+