2-[(3,4-dimethoxyphenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]acetic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-(veratrylthio)acetic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)O)OC

InChI

InChI=1S/C11H14O4S/c1-14-9-4-3-8(5-10(9)15-2)6-16-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)