cyclohexane-1,3-dione; 1-methylsulfonyl-3-nitro-benzene

Systemtic Name: cyclohexane-1,3-dione; 1-methylsulfonyl-3-nitro-benzene Openeye Name: cyclohexane-1,3-dione; 1-methylsulfonyl-3-nitro-benzene CAS Name: cyclohexane-1,3-dione; 1-methylsulfonyl-3-nitrobenzene IUPAC Name: cyclohexane-1,3-dione; 1-methylsulfonyl-3-nitrobenzene Traditional Name: cyclohexane-1,3-quinone; 1-mesyl-3-nitro-benzene Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-].C1CC(=O)CC(=O)C1

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-].C1CC(=O)CC(=O)C1

InChI

InChI=1S/C7H7NO4S.C6H8O2/c1-13(11,12)7-4-2-3-6(5-7)8(9)10;7-5-2-1-3-6(8)4-5/h2-5H,1H3;1-4H2