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

Systemtic Name: [(Z)-(3-bromanyl-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-(3-bromo-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-(3-bromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(Z)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(3-bromo-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrNO4S/c1-9-3-5-12(6-4-9)21(18,19)20-16-11-7-10(2)14(17)13(15)8-11/h3-8H,1-2H3/b16-11-