[(1S,4S,5S)-5-methanoyl-5-bicyclo[2.2.1]hept-2-enyl] 4-methoxybenzoate

Systemtic Name: [(1S,4S,5S)-5-methanoyl-5-bicyclo[2.2.1]hept-2-enyl] 4-methoxybenzoate Openeye Name: [(1S,4S,5S)-5-formyl-5-bicyclo[2.2.1]hept-2-enyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,4S,5S)-5-formyl-5-bicyclo[2.2.1]hept-2-enyl] ester IUPAC Name: [(1S,4S,5S)-5-formyl-5-bicyclo[2.2.1]hept-2-enyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,4S,5S)-5-formyl-5-bicyclo[2.2.1]hept-2-enyl] ester Formula: C16H16O4 MolecularWeight: 272.29584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2(CC3CC2C=C3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O[C@]2(C[C@@H]3C[C@H]2C=C3)C=O

InChI

InChI=1S/C16H16O4/c1-19-14-6-3-12(4-7-14)15(18)20-16(10-17)9-11-2-5-13(16)8-11/h2-7,10-11,13H,8-9H2,1H3/t11-,13+,16+/m0/s1