2-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanyl-propanal

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanyl-propanal Openeye Name: 3-hydroxy-2-(4-methylsulfonyl-2-nitro-phenyl)propanal CAS Name: 3-hydroxy-2-(4-methylsulfonyl-2-nitrophenyl)propanal IUPAC Name: 3-hydroxy-2-(4-methylsulfonyl-2-nitrophenyl)propanal Traditional Name: 3-hydroxy-2-(4-mesyl-2-nitro-phenyl)propionaldehyde Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6S/c1-18(16,17)8-2-3-9(7(5-12)6-13)10(4-8)11(14)15/h2-5,7,13H,6H2,1H3