(4-nitrophenyl)methyl 2-oxidanylidene-3-sulfanyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-oxidanylidene-3-sulfanyl-propanoate Openeye Name: (4-nitrophenyl)methyl 2-oxo-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-oxopropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-oxo-3-sulfanylpropanoate Traditional Name: 2-keto-3-mercapto-propionic acid (4-nitrobenzyl) ester Formula: C10H9NO5S MolecularWeight: 255.24716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(=O)CS)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C(=O)CS)[N+](=O)[O-]

InChI

InChI=1S/C10H9NO5S/c12-9(6-17)10(13)16-5-7-1-3-8(4-2-7)11(14)15/h1-4,17H,5-6H2