2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-3-(oxan-2-yl)propanoic acid

Systemtic Name: 2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-3-(oxan-2-yl)propanoic acid Openeye Name: 2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-3-tetrahydropyran-2-yl-propanoic acid CAS Name: 2-[4-(methylthio)-3-(trifluoromethyl)phenyl]-3-(2-oxanyl)propanoic acid IUPAC Name: 2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-3-(oxan-2-yl)propanoic acid Traditional Name: 2-[4-(methylthio)-3-(trifluoromethyl)phenyl]-3-tetrahydropyran-2-yl-propionic acid Formula: C16H19F3O3S MolecularWeight: 348.38047

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(CC2CCCCO2)C(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=C(C=C(C=C1)C(CC2CCCCO2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H19F3O3S/c1-23-14-6-5-10(8-13(14)16(17,18)19)12(15(20)21)9-11-4-2-3-7-22-11/h5-6,8,11-12H,2-4,7,9H2,1H3,(H,20,21)