4-[3,5-bis(chloranyl)phenyl]sulfanylpiperidine-1-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]sulfanylpiperidine-1-carboxylic acid Openeye Name: 4-(3,5-dichlorophenyl)sulfanylpiperidine-1-carboxylic acid CAS Name: 4-[(3,5-dichlorophenyl)thio]-1-piperidinecarboxylic acid IUPAC Name: 4-(3,5-dichlorophenyl)sulfanylpiperidine-1-carboxylic acid Traditional Name: 4-[(3,5-dichlorophenyl)thio]piperidine-1-carboxylic acid Formula: C12H13Cl2NO2S MolecularWeight: 306.20812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC(=CC(=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1SC2=CC(=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H13Cl2NO2S/c13-8-5-9(14)7-11(6-8)18-10-1-3-15(4-2-10)12(16)17/h5-7,10H,1-4H2,(H,16,17)