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

Systemtic Name: 3-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]propanoic acid IUPAC Name: 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]propionic acid Formula: C12H14F2O4S MolecularWeight: 292.298966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F2O4S/c1-17-10-6-8(7-19-5-4-11(15)16)2-3-9(10)18-12(13)14/h2-3,6,12H,4-5,7H2,1H3,(H,15,16)