2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8(13)9-3-4-11(16-2)10(5-9)6-17-7-12(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)