[(E)-[5,6-bis(bromanyl)-2,6-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 3-nitrobenzenesulfonate

Systemtic Name: [(E)-[5,6-bis(bromanyl)-2,6-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 3-nitrobenzenesulfonate Openeye Name: [(E)-(5,6-dibromo-2,6-dimethyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(E)-(5,6-dibromo-2,6-dimethyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5,6-dibromo-2,6-dimethyl-4-oxocyclohex-2-en-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(E)-(5,6-dibromo-4-keto-2,6-dimethyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C14H12Br2N2O6S MolecularWeight: 496.12788

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H12Br2N2O6S/c1-8-6-11(19)12(15)14(2,16)13(8)17-24-25(22,23)10-5-3-4-9(7-10)18(20)21/h3-7,12H,1-2H3/b17-13+