2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[(2-keto-2-methoxy-1-veratryl-ethyl)thio]propionic acid Formula: C15H20O6S MolecularWeight: 328.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC(CC1=CC(=C(C=C1)OC)OC)C(=O)OC

Isomeric SMILES

CC(C(=O)O)SC(CC1=CC(=C(C=C1)OC)OC)C(=O)OC

InChI

InChI=1S/C15H20O6S/c1-9(14(16)17)22-13(15(18)21-4)8-10-5-6-11(19-2)12(7-10)20-3/h5-7,9,13H,8H2,1-4H3,(H,16,17)