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

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2,5-dimethoxybenzyl)thio]propionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-15-10-3-4-11(16-2)9(7-10)8-17-6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)