(3,5,5-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl) benzoate

Systemtic Name: (3,5,5-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl) benzoate Openeye Name: (3,5,5-trimethyl-4-oxo-cyclohex-2-en-1-yl) benzoate CAS Name: benzoic acid (3,5,5-trimethyl-4-oxo-1-cyclohex-2-enyl) ester IUPAC Name: (3,5,5-trimethyl-4-oxocyclohex-2-en-1-yl) benzoate Traditional Name: benzoic acid (4-keto-3,5,5-trimethyl-cyclohex-2-en-1-yl) ester Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O3/c1-11-9-13(10-16(2,3)14(11)17)19-15(18)12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3