[2-(2-bromophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-chloranylbenzoate

Systemtic Name: [2-(2-bromophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 4-chloranylbenzoate Openeye Name: [2-(2-bromophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(2-bromophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-bromophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(2-bromophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C21H18BrClO3 MolecularWeight: 433.72282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=CC=CC=C2Br)OC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=CC=CC=C2Br)OC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H18BrClO3/c1-21(2)11-17(24)19(15-5-3-4-6-16(15)22)18(12-21)26-20(25)13-7-9-14(23)10-8-13/h3-10H,11-12H2,1-2H3