4-methyl-4-(3-nitrophenyl)sulfonyl-pentan-2-one

Systemtic Name: 4-methyl-4-(3-nitrophenyl)sulfonyl-pentan-2-one Openeye Name: 4-methyl-4-(3-nitrophenyl)sulfonyl-pentan-2-one CAS Name: 4-methyl-4-(3-nitrophenyl)sulfonyl-2-pentanone IUPAC Name: 4-methyl-4-(3-nitrophenyl)sulfonylpentan-2-one Traditional Name: 4-methyl-4-(3-nitrophenyl)sulfonyl-pentan-2-one Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-9(14)8-12(2,3)19(17,18)11-6-4-5-10(7-11)13(15)16/h4-7H,8H2,1-3H3