[(Z)-[5,6-bis(bromanyl)-5-methyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 4-nitrobenzenesulfonate

Systemtic Name: [(Z)-[5,6-bis(bromanyl)-5-methyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(Z)-(5,6-dibromo-5-methyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(Z)-(5,6-dibromo-5-methyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(Z)-(5,6-dibromo-5-methyl-4-oxocyclohex-2-en-1-ylidene)amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(Z)-(5,6-dibromo-4-keto-5-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C13H10Br2N2O6S MolecularWeight: 482.1013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C(/C(=N\OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=CC1=O)Br)Br

InChI

InChI=1S/C13H10Br2N2O6S/c1-13(15)11(18)7-6-10(12(13)14)16-23-24(21,22)9-4-2-8(3-5-9)17(19)20/h2-7,12H,1H3/b16-10-