(2S)-2-(3,4-dimethoxyphenyl)butanedioate

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)butanedioate Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)butanedioate CAS Name: (2S)-2-(3,4-dimethoxyphenyl)butanedioate IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)butanedioate Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)succinate Formula: C12H12O6-2 MolecularWeight: 252.22008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)[O-])C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)[O-])C(=O)[O-])OC

InChI

InChI=1S/C12H14O6/c1-17-9-4-3-7(5-10(9)18-2)8(12(15)16)6-11(13)14/h3-5,8H,6H2,1-2H3,(H,13,14)(H,15,16)/p-2/t8-/m0/s1