5-sulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentanoic acid

Systemtic Name: 5-sulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentanoic acid Openeye Name: 5-sulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentanoic acid CAS Name: 5-mercapto-2-[[3-(trifluoromethyl)phenyl]methyl]pentanoic acid IUPAC Name: 5-sulfanyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentanoic acid Traditional Name: 5-mercapto-2-[3-(trifluoromethyl)benzyl]valeric acid Formula: C13H15F3O2S MolecularWeight: 292.31721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC(CCCS)C(=O)O

InChI

InChI=1S/C13H15F3O2S/c14-13(15,16)11-5-1-3-9(8-11)7-10(12(17)18)4-2-6-19/h1,3,5,8,10,19H,2,4,6-7H2,(H,17,18)