2-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-hydroxy-3-methoxy-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-hydroxy-3-methoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(4-hydroxy-3-methoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-(vanillylthio)acetic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c1-14-9-4-7(2-3-8(9)11)5-15-6-10(12)13/h2-4,11H,5-6H2,1H3,(H,12,13)