2-sulfanyl-7-[4-(trifluoromethyl)phenyl]heptanoic acid

Systemtic Name: 2-sulfanyl-7-[4-(trifluoromethyl)phenyl]heptanoic acid Openeye Name: 2-sulfanyl-7-[4-(trifluoromethyl)phenyl]heptanoic acid CAS Name: 2-mercapto-7-[4-(trifluoromethyl)phenyl]heptanoic acid IUPAC Name: 2-sulfanyl-7-[4-(trifluoromethyl)phenyl]heptanoic acid Traditional Name: 2-mercapto-7-[4-(trifluoromethyl)phenyl]enanthic acid Formula: C14H17F3O2S MolecularWeight: 306.34379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCC(C(=O)O)S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CCCCCC(C(=O)O)S)C(F)(F)F

InChI

InChI=1S/C14H17F3O2S/c15-14(16,17)11-8-6-10(7-9-11)4-2-1-3-5-12(20)13(18)19/h6-9,12,20H,1-5H2,(H,18,19)