(3-oxidanylidenecyclohexen-1-yl) 5-bromanyl-2,3,4-trimethyl-benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 5-bromanyl-2,3,4-trimethyl-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 5-bromo-2,3,4-trimethyl-benzoate CAS Name: 5-bromo-2,3,4-trimethylbenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 5-bromo-2,3,4-trimethylbenzoate Traditional Name: 5-bromo-2,3,4-trimethyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H17BrO3 MolecularWeight: 337.20838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)Br)C(=O)OC2=CC(=O)CCC2)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)Br)C(=O)OC2=CC(=O)CCC2)C

InChI

InChI=1S/C16H17BrO3/c1-9-10(2)14(8-15(17)11(9)3)16(19)20-13-6-4-5-12(18)7-13/h7-8H,4-6H2,1-3H3