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

Systemtic Name: [(E)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-bromanylbenzenesulfonate Openeye Name: [(E)-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(E)-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(E)-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C13H10BrNO4S MolecularWeight: 356.1918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)Br)C=CC1=O

Isomeric SMILES

CC1=C/C(=N/OS(=O)(=O)C2=CC=C(C=C2)Br)/C=CC1=O

InChI

InChI=1S/C13H10BrNO4S/c1-9-8-11(4-7-13(9)16)15-19-20(17,18)12-5-2-10(14)3-6-12/h2-8H,1H3/b15-11+