methyl 4-[6-(2-nitrophenyl)hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(2-nitrophenyl)hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2-nitrophenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(2-nitrophenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(2-nitrophenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[6-(2-nitrophenyl)hexylthio]butyric acid methyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c1-23-17(20)12-15(19)13-24-11-7-3-2-4-8-14-9-5-6-10-16(14)18(21)22/h5-6,9-10H,2-4,7-8,11-13H2,1H3