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

Systemtic Name: [(E)-(5-chloranyl-2,3-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(E)-(5-chloro-2,3-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(E)-(5-chloro-2,3-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(5-chloro-2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(E)-(5-chloro-4-keto-2,3-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C14H11ClN2O6S MolecularWeight: 370.76494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O6S/c1-8-9(2)14(18)12(15)7-13(8)16-23-24(21,22)11-5-3-4-10(6-11)17(19)20/h3-7H,1-2H3/b16-13+