2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-4-prop-2-ynyl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-4-prop-2-ynyl-cyclohexane-1,3-dione Openeye Name: 2-(4-methylsulfonyl-2-nitro-benzoyl)-4-prop-2-ynyl-cyclohexane-1,3-dione CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]-4-prop-2-ynylcyclohexane-1,3-dione IUPAC Name: 2-(4-methylsulfonyl-2-nitrobenzoyl)-4-prop-2-ynylcyclohexane-1,3-dione Traditional Name: 2-(4-mesyl-2-nitro-benzoyl)-4-propargyl-cyclohexane-1,3-quinone Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCC(C2=O)CC#C)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCC(C2=O)CC#C)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO7S/c1-3-4-10-5-8-14(19)15(16(10)20)17(21)12-7-6-11(26(2,24)25)9-13(12)18(22)23/h1,6-7,9-10,15H,4-5,8H2,2H3