(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-bromanylbenzoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-bromanylbenzoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C15H15BrO3 MolecularWeight: 323.1818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C15H15BrO3/c1-15(2)8-12(17)7-13(9-15)19-14(18)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3