(4-nitrophenyl)methyl 5-methylsulfanyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 5-methylsulfanyl-3-oxidanylidene-pentanoate Openeye Name: (4-nitrophenyl)methyl 5-methylsulfanyl-3-oxo-pentanoate CAS Name: 5-(methylthio)-3-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-methylsulfanyl-3-oxopentanoate Traditional Name: 3-keto-5-(methylthio)valeric acid (4-nitrobenzyl) ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSCCC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5S/c1-20-7-6-12(15)8-13(16)19-9-10-2-4-11(5-3-10)14(17)18/h2-5H,6-9H2,1H3