cyclohex-2-en-1-one; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: cyclohex-2-en-1-one; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione Openeye Name: cyclohex-2-en-1-one; 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 1-cyclohex-2-enone; 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: cyclohex-2-en-1-one; 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: cyclohex-2-en-1-one; 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-].C1CC=CC(=O)C1

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-].C1CC=CC(=O)C1

InChI

InChI=1S/C14H13NO7S.C6H8O/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17;7-6-4-2-1-3-5-6/h5-7,13H,2-4H2,1H3;2,4H,1,3,5H2