4-[[4-chloranyl-3-(2-chloroethylsulfanyl)butanoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-chloranyl-3-(2-chloroethylsulfanyl)butanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-chloro-3-(2-chloroethylsulfanyl)butanoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[4-chloro-3-(2-chloroethylthio)-1-oxobutyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-chloro-3-(2-chloroethylsulfanyl)butanoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-chloro-3-(2-chloroethylthio)butanoyl]amino]cyclohexanecarboxylic acid Formula: C13H21Cl2NO3S MolecularWeight: 342.28174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)CC(CCl)SCCCl

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)CC(CCl)SCCCl

InChI

InChI=1S/C13H21Cl2NO3S/c14-5-6-20-11(8-15)7-12(17)16-10-3-1-9(2-4-10)13(18)19/h9-11H,1-8H2,(H,16,17)(H,18,19)