2,2-dimethyl-1-[5-(nitromethylsulfonyl)thiophen-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[5-(nitromethylsulfonyl)thiophen-2-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[5-(nitromethylsulfonyl)-2-thienyl]propan-1-one CAS Name: 2,2-dimethyl-1-[5-(nitromethylsulfonyl)-2-thiophenyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[5-(nitromethylsulfonyl)thiophen-2-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[5-(nitromethylsulfonyl)-2-thienyl]propan-1-one Formula: C10H13NO5S2 MolecularWeight: 291.34392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5S2/c1-10(2,3)9(12)7-4-5-8(17-7)18(15,16)6-11(13)14/h4-5H,6H2,1-3H3