(3-methylphenyl) 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: (3-methylphenyl) 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: m-tolyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid m-tolyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C23CCC(C2(C)C)(C(=O)O3)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C23CCC(C2(C)C)(C(=O)O3)C

InChI

InChI=1S/C17H20O4/c1-11-6-5-7-12(10-11)20-14(19)17-9-8-16(4,13(18)21-17)15(17,2)3/h5-7,10H,8-9H2,1-4H3