(5-methyl-6-oxidanylidene-2-propan-2-yl-cyclohexen-1-yl) 2-bromanylethanoate

Systemtic Name: (5-methyl-6-oxidanylidene-2-propan-2-yl-cyclohexen-1-yl) 2-bromanylethanoate Openeye Name: (2-isopropyl-5-methyl-6-oxo-cyclohexen-1-yl) 2-bromoacetate CAS Name: 2-bromoacetic acid (5-methyl-6-oxo-2-propan-2-yl-1-cyclohexenyl) ester IUPAC Name: (5-methyl-6-oxo-2-propan-2-ylcyclohexen-1-yl) 2-bromoacetate Traditional Name: 2-bromoacetic acid (2-isopropyl-6-keto-5-methyl-cyclohexen-1-yl) ester Formula: C12H17BrO3 MolecularWeight: 289.16558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C(C1=O)OC(=O)CBr)C(C)C

Isomeric SMILES

CC1CCC(=C(C1=O)OC(=O)CBr)C(C)C

InChI

InChI=1S/C12H17BrO3/c1-7(2)9-5-4-8(3)11(15)12(9)16-10(14)6-13/h7-8H,4-6H2,1-3H3