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

Systemtic Name: [(E)-(5-chloranyl-2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Openeye Name: [(E)-(5-chloro-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(E)-(5-chloro-2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(5-chloro-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(E)-(5-chloro-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C13H9ClN2O6S MolecularWeight: 356.73836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O6S/c1-8-6-13(17)11(14)7-12(8)15-22-23(20,21)10-4-2-9(3-5-10)16(18)19/h2-7H,1H3/b15-12+