[(E)-(3-bromanyl-2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate

Systemtic Name: [(E)-(3-bromanyl-2,6-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(E)-(3-bromo-2,6-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(E)-(3-bromo-2,6-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(3-bromo-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(E)-(3-bromo-4-keto-2,6-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C14H11BrN2O6S MolecularWeight: 415.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN2O6S/c1-8-6-12(18)13(15)9(2)14(8)16-23-24(21,22)11-5-3-4-10(7-11)17(19)20/h3-7H,1-2H3/b16-14+