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

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanylidene-propanal Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)-3-oxo-propanal CAS Name: 3-(4-methylsulfonyl-2-nitrophenyl)-3-oxopropanal IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)-3-oxopropanal Traditional Name: 3-keto-3-(4-mesyl-2-nitro-phenyl)propionaldehyde Formula: C10H9NO6S MolecularWeight: 271.24656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6S/c1-18(16,17)7-2-3-8(10(13)4-5-12)9(6-7)11(14)15/h2-3,5-6H,4H2,1H3