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

Systemtic Name: [(E)-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(3-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(3-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C13H10ClNO4S MolecularWeight: 311.7408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C(=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\C=CC(=O)C(=C2)Cl

InChI

InChI=1S/C13H10ClNO4S/c1-9-2-5-11(6-3-9)20(17,18)19-15-10-4-7-13(16)12(14)8-10/h2-8H,1H3/b15-10+