5,5-bis(chloranyl)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid

Systemtic Name: 5,5-bis(chloranyl)-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid Openeye Name: 5,5-dichloro-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid CAS Name: 5,5-dichloro-1-(3-mercapto-1-oxopropyl)-2-piperidinecarboxylic acid IUPAC Name: 5,5-dichloro-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid Traditional Name: 5,5-dichloro-1-(3-mercaptopropanoyl)pipecolinic acid Formula: C9H13Cl2NO3S MolecularWeight: 286.17542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1C(=O)O)C(=O)CCS)(Cl)Cl

Isomeric SMILES

C1CC(CN(C1C(=O)O)C(=O)CCS)(Cl)Cl

InChI

InChI=1S/C9H13Cl2NO3S/c10-9(11)3-1-6(8(14)15)12(5-9)7(13)2-4-16/h6,16H,1-5H2,(H,14,15)