2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(3,4,5-trimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3,4,5-trimethoxybenzyl)thio]propionic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C13H18O5S/c1-8(13(14)15)19-7-9-5-10(16-2)12(18-4)11(6-9)17-3/h5-6,8H,7H2,1-4H3,(H,14,15)