2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(2,5-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2,5-dimethoxybenzyl)thio]propionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-8(12(13)14)17-7-9-6-10(15-2)4-5-11(9)16-3/h4-6,8H,7H2,1-3H3,(H,13,14)