3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoate Openeye Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)methylthio]propanoate IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoate Traditional Name: 3-(veratrylthio)propionate Formula: C12H15O4S- MolecularWeight: 255.3101

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC(=O)[O-])OC

InChI

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