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

Systemtic Name: [(Z)-[5,6-bis(bromanyl)-3-methyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 3-nitrobenzenesulfonate Openeye Name: [(Z)-(5,6-dibromo-3-methyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(Z)-(5,6-dibromo-3-methyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(Z)-(5,6-dibromo-3-methyl-4-oxocyclohex-2-en-1-ylidene)amino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(Z)-(5,6-dibromo-4-keto-3-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C13H10Br2N2O6S MolecularWeight: 482.1013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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