methyl 3-cyano-4-[6-(4-nitrophenyl)hexylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[6-(4-nitrophenyl)hexylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-3-hydroxy-4-[6-(4-nitrophenyl)hexylsulfanyl]butanoate CAS Name: 3-cyano-3-hydroxy-4-[6-(4-nitrophenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-hydroxy-4-[6-(4-nitrophenyl)hexylsulfanyl]butanoate Traditional Name: 3-cyano-3-hydroxy-4-[6-(4-nitrophenyl)hexylthio]butyric acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCCCCCC1=CC=C(C=C1)[N+](=O)[O-])(C#N)O

Isomeric SMILES

COC(=O)CC(CSCCCCCCC1=CC=C(C=C1)[N+](=O)[O-])(C#N)O

InChI

InChI=1S/C18H24N2O5S/c1-25-17(21)12-18(22,13-19)14-26-11-5-3-2-4-6-15-7-9-16(10-8-15)20(23)24/h7-10,22H,2-6,11-12,14H2,1H3