methyl 3-cyano-3-oxidanyl-4-(6-phenylhexylsulfanyl)butanoate

Systemtic Name: methyl 3-cyano-3-oxidanyl-4-(6-phenylhexylsulfanyl)butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-(6-phenylhexylsulfanyl)butanoate CAS Name: 3-cyano-3-hydroxy-4-(6-phenylhexylthio)butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-(6-phenylhexylsulfanyl)butanoate Traditional Name: 3-cyano-3-hydroxy-4-(6-phenylhexylthio)butyric acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=CC=C1)(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=CC=C1)(C#N)O

InChI

InChI=1S/C18H25NO3S/c1-22-17(20)13-18(21,14-19)15-23-12-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-11,21H,2-3,5,8-9,12-13,15H2,1H3