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

Systemtic Name: [(E)-[5,6-bis(bromanyl)-2,5-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(5,6-dibromo-2,5-dimethyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(5,6-dibromo-2,5-dimethyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5,6-dibromo-2,5-dimethyl-4-oxocyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(5,6-dibromo-4-keto-2,5-dimethyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C15H15Br2NO4S MolecularWeight: 465.1569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C\2/C(C(C(=O)C=C2C)(C)Br)Br

InChI

InChI=1S/C15H15Br2NO4S/c1-9-4-6-11(7-5-9)23(20,21)22-18-13-10(2)8-12(19)15(3,17)14(13)16/h4-8,14H,1-3H3/b18-13+