methyl 3-cyano-4-[9-(2,4-dichlorophenyl)nonylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[9-(2,4-dichlorophenyl)nonylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[9-(2,4-dichlorophenyl)nonylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[9-(2,4-dichlorophenyl)nonylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[9-(2,4-dichlorophenyl)nonylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[9-(2,4-dichlorophenyl)nonylthio]-3-hydroxy-butyric acid methyl ester Formula: C21H29Cl2NO3S MolecularWeight: 446.43086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCCCCC1=C(C=C(C=C1)Cl)Cl)(C#N)O

InChI

InChI=1S/C21H29Cl2NO3S/c1-27-20(25)14-21(26,15-24)16-28-12-8-6-4-2-3-5-7-9-17-10-11-18(22)13-19(17)23/h10-11,13,26H,2-9,12,14,16H2,1H3