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

Systemtic Name: [(E)-[5,6-bis(bromanyl)-6-methyl-4-oxidanylidene-3-propan-2-yl-cyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-(5,6-dibromo-3-isopropyl-6-methyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-(5,6-dibromo-6-methyl-4-oxo-3-propan-2-yl-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5,6-dibromo-6-methyl-4-oxo-3-propan-2-ylcyclohex-2-en-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(5,6-dibromo-3-isopropyl-4-keto-6-methyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C17H19Br2NO4S MolecularWeight: 493.21006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=C(C(=O)C(C2(C)Br)Br)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\C=C(C(=O)C(C2(C)Br)Br)C(C)C

InChI

InChI=1S/C17H19Br2NO4S/c1-10(2)13-9-14(17(4,19)16(18)15(13)21)20-24-25(22,23)12-7-5-11(3)6-8-12/h5-10,16H,1-4H3/b20-14+