2-[3-(3,5-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(3,5-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[3-(3,5-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[3-(3,5-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)-2-keto-2-methoxy-ethyl]thio]acetic acid Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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