4-nitrooxybutyl 2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-nitrooxybutyl 2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: 4-nitrooxybutyl 2-(acetylsulfanylmethyl)-4-oxo-4-(p-tolyl)butanoate CAS Name: 2-[(acetylthio)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 2-[(acetylthio)methyl]-4-keto-4-(p-tolyl)butyric acid 4-nitrooxybutyl ester Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H23NO7S/c1-13-5-7-15(8-6-13)17(21)11-16(12-27-14(2)20)18(22)25-9-3-4-10-26-19(23)24/h5-8,16H,3-4,9-12H2,1-2H3