2-(4-methylsulfonyl-2-nitro-phenyl)propanedial

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)propanedial Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)propanedial CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)propanedial IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)propanedial Traditional Name: 2-(4-mesyl-2-nitro-phenyl)malonaldehyde Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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