4-(3,5-dimethoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,5-dimethoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dimethoxyphenyl)-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dimethoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-(3,5-dimethoxyphenyl)-4-keto-butyric acid Formula: C12H14O5 MolecularWeight: 238.23656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5/c1-16-9-5-8(6-10(7-9)17-2)11(13)3-4-12(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)