1-[3,3,3-tris(fluoranyl)-2-sulfanyl-propanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[3,3,3-tris(fluoranyl)-2-sulfanyl-propanoyl]piperidine-2-carboxylic acid Openeye Name: 1-(3,3,3-trifluoro-2-sulfanyl-propanoyl)piperidine-2-carboxylic acid CAS Name: 1-(3,3,3-trifluoro-2-mercapto-1-oxopropyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(3,3,3-trifluoro-2-sulfanylpropanoyl)piperidine-2-carboxylic acid Traditional Name: 1-(3,3,3-trifluoro-2-mercapto-propanoyl)pipecolinic acid Formula: C9H12F3NO3S MolecularWeight: 271.25669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C(C(F)(F)F)S

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C(C(F)(F)F)S

InChI

InChI=1S/C9H12F3NO3S/c10-9(11,12)6(17)7(14)13-4-2-1-3-5(13)8(15)16/h5-6,17H,1-4H2,(H,15,16)