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

Systemtic Name: [(E)-[5,6-bis(bromanyl)-3-methyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(5,6-dibromo-3-methyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(5,6-dibromo-3-methyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5,6-dibromo-3-methyl-4-oxocyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(5,6-dibromo-4-keto-3-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C14H13Br2NO4S MolecularWeight: 451.13032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=C(C(=O)C(C2Br)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\C=C(C(=O)C(C2Br)Br)C

InChI

InChI=1S/C14H13Br2NO4S/c1-8-3-5-10(6-4-8)22(19,20)21-17-11-7-9(2)14(18)13(16)12(11)15/h3-7,12-13H,1-2H3/b17-11+