3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]propionic acid Formula: C11H13FO3S MolecularWeight: 244.282523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC(=O)O)F

InChI

InChI=1S/C11H13FO3S/c1-15-10-3-2-8(6-9(10)12)7-16-5-4-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)