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

Systemtic Name: 5-[3-(trifluoromethyl)phenyl]sulfonylpentanoic acid Openeye Name: 5-[3-(trifluoromethyl)phenyl]sulfonylpentanoic acid CAS Name: 5-[3-(trifluoromethyl)phenyl]sulfonylpentanoic acid IUPAC Name: 5-[3-(trifluoromethyl)phenyl]sulfonylpentanoic acid Traditional Name: 5-[3-(trifluoromethyl)phenyl]sulfonylvaleric acid Formula: C12H13F3O4S MolecularWeight: 310.28943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O4S/c13-12(14,15)9-4-3-5-10(8-9)20(18,19)7-2-1-6-11(16)17/h3-5,8H,1-2,6-7H2,(H,16,17)