1-(3-methylsulfonyl-5-nitro-phenyl)-2-oxidanyl-ethanone

Systemtic Name: 1-(3-methylsulfonyl-5-nitro-phenyl)-2-oxidanyl-ethanone Openeye Name: 2-hydroxy-1-(3-methylsulfonyl-5-nitro-phenyl)ethanone CAS Name: 2-hydroxy-1-(3-methylsulfonyl-5-nitrophenyl)ethanone IUPAC Name: 2-hydroxy-1-(3-methylsulfonyl-5-nitrophenyl)ethanone Traditional Name: 2-hydroxy-1-(3-mesyl-5-nitro-phenyl)ethanone Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S/c1-17(15,16)8-3-6(9(12)5-11)2-7(4-8)10(13)14/h2-4,11H,5H2,1H3