(3S)-4-(3,4-dimethoxyphenyl)-3-oxidanyl-butanoic acid

Systemtic Name: (3S)-4-(3,4-dimethoxyphenyl)-3-oxidanyl-butanoic acid Openeye Name: (3S)-4-(3,4-dimethoxyphenyl)-3-hydroxy-butanoic acid CAS Name: (3S)-4-(3,4-dimethoxyphenyl)-3-hydroxybutanoic acid IUPAC Name: (3S)-4-(3,4-dimethoxyphenyl)-3-hydroxybutanoic acid Traditional Name: (3S)-4-(3,4-dimethoxyphenyl)-3-hydroxy-butyric acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5/c1-16-10-4-3-8(6-11(10)17-2)5-9(13)7-12(14)15/h3-4,6,9,13H,5,7H2,1-2H3,(H,14,15)/t9-/m0/s1