2-[[4-(trifluoromethyloxy)phenyl]sulfanylmethyl]pentanoic acid

Systemtic Name: 2-[[4-(trifluoromethyloxy)phenyl]sulfanylmethyl]pentanoic acid Openeye Name: 2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]pentanoic acid CAS Name: 2-[[[4-(trifluoromethoxy)phenyl]thio]methyl]pentanoic acid IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]pentanoic acid Traditional Name: 2-[[[4-(trifluoromethoxy)phenyl]thio]methyl]valeric acid Formula: C13H15F3O3S MolecularWeight: 308.31661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CSC1=CC=C(C=C1)OC(F)(F)F)C(=O)O

Isomeric SMILES

CCCC(CSC1=CC=C(C=C1)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C13H15F3O3S/c1-2-3-9(12(17)18)8-20-11-6-4-10(5-7-11)19-13(14,15)16/h4-7,9H,2-3,8H2,1H3,(H,17,18)