3-(4-nitrophenyl)propanoyl 2-methyl-3-sulfanyl-propaneperoxoate

Systemtic Name: 3-(4-nitrophenyl)propanoyl 2-methyl-3-sulfanyl-propaneperoxoate Openeye Name: 3-(4-nitrophenyl)propanoyl 2-methyl-3-sulfanyl-propaneperoxoate CAS Name: 3-mercapto-2-methylpropaneperoxoic acid [3-(4-nitrophenyl)-1-oxopropyl] ester IUPAC Name: 3-(4-nitrophenyl)propanoyl 2-methyl-3-sulfanylpropaneperoxoate Traditional Name: 3-mercapto-2-methyl-peroxypropionic acid 3-(4-nitrophenyl)propanoyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OOC(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CS)C(=O)OOC(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6S/c1-9(8-21)13(16)20-19-12(15)7-4-10-2-5-11(6-3-10)14(17)18/h2-3,5-6,9,21H,4,7-8H2,1H3