2-methylsulfonyl-5-(4-nitrophenyl)-1-phenyl-pentane-1,5-dione

Systemtic Name: 2-methylsulfonyl-5-(4-nitrophenyl)-1-phenyl-pentane-1,5-dione Openeye Name: 2-methylsulfonyl-5-(4-nitrophenyl)-1-phenyl-pentane-1,5-dione CAS Name: 2-methylsulfonyl-5-(4-nitrophenyl)-1-phenylpentane-1,5-dione IUPAC Name: 2-methylsulfonyl-5-(4-nitrophenyl)-1-phenylpentane-1,5-dione Traditional Name: 2-mesyl-5-(4-nitrophenyl)-1-phenyl-pentane-1,5-dione Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/c1-26(24,25)17(18(21)14-5-3-2-4-6-14)12-11-16(20)13-7-9-15(10-8-13)19(22)23/h2-10,17H,11-12H2,1H3