methyl 4-[6-[2,6-bis(chloranyl)phenyl]hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate

Systemtic Name: methyl 4-[6-[2,6-bis(chloranyl)phenyl]hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[6-(2,6-dichlorophenyl)hexylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[6-(2,6-dichlorophenyl)hexylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[6-(2,6-dichlorophenyl)hexylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[6-(2,6-dichlorophenyl)hexylthio]-3-hydroxy-butyric acid methyl ester Formula: C18H23Cl2NO3S MolecularWeight: 404.35112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=C(C=CC=C1Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=C(C=CC=C1Cl)Cl)(C#N)O

InChI

InChI=1S/C18H23Cl2NO3S/c1-24-17(22)11-18(23,12-21)13-25-10-5-3-2-4-7-14-15(19)8-6-9-16(14)20/h6,8-9,23H,2-5,7,10-11,13H2,1H3