(2-bromanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) ethanoate

Systemtic Name: (2-bromanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) ethanoate Openeye Name: (2-bromo-5,5-dimethyl-3-oxo-cyclohexen-1-yl) acetate CAS Name: acetic acid (2-bromo-5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (2-bromo-5,5-dimethyl-3-oxocyclohexen-1-yl) acetate Traditional Name: acetic acid (2-bromo-3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C10H13BrO3 MolecularWeight: 261.11242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13BrO3/c1-6(12)14-8-5-10(2,3)4-7(13)9(8)11/h4-5H2,1-3H3