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

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[(2-keto-2-methoxy-1-veratryl-ethyl)thio]acetic acid Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O6S/c1-18-10-5-4-9(6-11(10)19-2)7-12(14(17)20-3)21-8-13(15)16/h4-6,12H,7-8H2,1-3H3,(H,15,16)