(4,7,7-trimethyl-5-oxidanylidene-2-bicyclo[2.2.1]heptanyl) benzoate

Systemtic Name: (4,7,7-trimethyl-5-oxidanylidene-2-bicyclo[2.2.1]heptanyl) benzoate Openeye Name: (4,7,7-trimethyl-5-oxo-norbornan-2-yl) benzoate CAS Name: benzoic acid (4,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (4,7,7-trimethyl-5-oxo-2-bicyclo[2.2.1]heptanyl) benzoate Traditional Name: benzoic acid (5-keto-4,7,7-trimethyl-norbornan-2-yl) ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(=O)C1(CC2OC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1(C2CC(=O)C1(CC2OC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C17H20O3/c1-16(2)12-9-14(18)17(16,3)10-13(12)20-15(19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3