5-[3-(trifluoromethyl)phenyl]sulfanylpentanoic acid

Systemtic Name: 5-[3-(trifluoromethyl)phenyl]sulfanylpentanoic acid Openeye Name: 5-[3-(trifluoromethyl)phenyl]sulfanylpentanoic acid CAS Name: 5-[[3-(trifluoromethyl)phenyl]thio]pentanoic acid IUPAC Name: 5-[3-(trifluoromethyl)phenyl]sulfanylpentanoic acid Traditional Name: 5-[[3-(trifluoromethyl)phenyl]thio]valeric acid Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O2S/c13-12(14,15)9-4-3-5-10(8-9)18-7-2-1-6-11(16)17/h3-5,8H,1-2,6-7H2,(H,16,17)