[2-[2,4-bis(bromanyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-methylpropanoate

Systemtic Name: [2-[2,4-bis(bromanyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-methylpropanoate Openeye Name: [2-(2,4-dibromophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(2,4-dibromophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,4-dibromophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(2,4-dibromophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C18H20Br2O3 MolecularWeight: 444.1576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C=C(C=C2)Br)Br

Isomeric SMILES

CC(C)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C18H20Br2O3/c1-10(2)17(22)23-15-9-18(3,4)8-14(21)16(15)12-6-5-11(19)7-13(12)20/h5-7,10H,8-9H2,1-4H3