(4-nitrophenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (4-nitrobenzyl) ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S/c1-25-16-8-4-14(5-9-16)17(20)10-11-18(21)24-12-13-2-6-15(7-3-13)19(22)23/h2-9H,10-12H2,1H3