(3S)-4-methoxy-3-[(4-methoxy-3-oxidanyl-phenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-methoxy-3-[(4-methoxy-3-oxidanyl-phenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[(3-hydroxy-4-methoxy-phenyl)methyl]-4-methoxy-4-oxo-butanoic acid CAS Name: (3S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: (3S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid Traditional Name: (3S)-3-(3-hydroxy-4-methoxy-benzyl)-4-keto-4-methoxy-butyric acid Formula: C13H16O6 MolecularWeight: 268.26254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6/c1-18-11-4-3-8(6-10(11)14)5-9(7-12(15)16)13(17)19-2/h3-4,6,9,14H,5,7H2,1-2H3,(H,15,16)/t9-/m0/s1