4-(5-methoxy-2-methylsulfanyl-phenyl)butanoic acid

Systemtic Name: 4-(5-methoxy-2-methylsulfanyl-phenyl)butanoic acid Openeye Name: 4-(5-methoxy-2-methylsulfanyl-phenyl)butanoic acid CAS Name: 4-[5-methoxy-2-(methylthio)phenyl]butanoic acid IUPAC Name: 4-(5-methoxy-2-methylsulfanylphenyl)butanoic acid Traditional Name: 4-[5-methoxy-2-(methylthio)phenyl]butyric acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC)CCCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)SC)CCCC(=O)O

InChI

InChI=1S/C12H16O3S/c1-15-10-6-7-11(16-2)9(8-10)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)