methyl 4-[6-(4-chloranyl-2-nitro-phenyl)hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(4-chloranyl-2-nitro-phenyl)hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(4-chloro-2-nitro-phenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(4-chloro-2-nitrophenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(4-chloro-2-nitrophenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(4-chloro-2-nitro-phenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO5S/c1-24-17(21)11-15(20)12-25-9-5-3-2-4-6-13-7-8-14(18)10-16(13)19(22)23/h7-8,10H,2-6,9,11-12H2,1H3