3-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxidanylidene-propanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-3-keto-2,2-dimethyl-propionic acid Formula: C13H16O5 MolecularWeight: 252.26314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-13(2,12(15)16)11(14)8-5-6-9(17-3)10(7-8)18-4/h5-7H,1-4H3,(H,15,16)