1-(5-methylsulfonyl-4-nitro-thiophen-2-yl)ethanone

Systemtic Name: 1-(5-methylsulfonyl-4-nitro-thiophen-2-yl)ethanone Openeye Name: 1-(5-methylsulfonyl-4-nitro-2-thienyl)ethanone CAS Name: 1-(5-methylsulfonyl-4-nitro-2-thiophenyl)ethanone IUPAC Name: 1-(5-methylsulfonyl-4-nitrothiophen-2-yl)ethanone Traditional Name: 1-(5-mesyl-4-nitro-2-thienyl)ethanone Formula: C7H7NO5S2 MolecularWeight: 249.26418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(S1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(S1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C7H7NO5S2/c1-4(9)6-3-5(8(10)11)7(14-6)15(2,12)13/h3H,1-2H3