2-[(1S)-1-(3,4-dimethoxyphenyl)-4-oxidanylidene-cyclohex-2-en-1-yl]ethanoic acid

Systemtic Name: 2-[(1S)-1-(3,4-dimethoxyphenyl)-4-oxidanylidene-cyclohex-2-en-1-yl]ethanoic acid Openeye Name: 2-[(1S)-1-(3,4-dimethoxyphenyl)-4-oxo-cyclohex-2-en-1-yl]acetic acid CAS Name: 2-[(1S)-1-(3,4-dimethoxyphenyl)-4-oxo-1-cyclohex-2-enyl]acetic acid IUPAC Name: 2-[(1S)-1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]acetic acid Traditional Name: 2-[(1S)-1-(3,4-dimethoxyphenyl)-4-keto-cyclohex-2-en-1-yl]acetic acid Formula: C16H18O5 MolecularWeight: 290.31112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)C=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@]2(CCC(=O)C=C2)CC(=O)O)OC

InChI

InChI=1S/C16H18O5/c1-20-13-4-3-11(9-14(13)21-2)16(10-15(18)19)7-5-12(17)6-8-16/h3-5,7,9H,6,8,10H2,1-2H3,(H,18,19)/t16-/m0/s1