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

Systemtic Name: methyl 4-[6-[2,4-bis(chloranyl)-6-phenyl-phenyl]hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[6-(2,4-dichloro-6-phenyl-phenyl)hexylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[6-(2,4-dichloro-6-phenylphenyl)hexylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[6-(2,4-dichloro-6-phenylphenyl)hexylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[6-(2,4-dichloro-6-phenyl-phenyl)hexylthio]-3-hydroxy-butyric acid methyl ester Formula: C24H27Cl2NO3S MolecularWeight: 480.44708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=C(C=C(C=C1C2=CC=CC=C2)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=C(C=C(C=C1C2=CC=CC=C2)Cl)Cl)(C#N)O

InChI

InChI=1S/C24H27Cl2NO3S/c1-30-23(28)15-24(29,16-27)17-31-12-8-3-2-7-11-20-21(13-19(25)14-22(20)26)18-9-5-4-6-10-18/h4-6,9-10,13-14,29H,2-3,7-8,11-12,15,17H2,1H3