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

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

Isomeric SMILES

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

InChI

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