1-cyclopropyl-2,3-bis(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione

Systemtic Name: 1-cyclopropyl-2,3-bis(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione Openeye Name: 1-cyclopropyl-2,3-bis(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione CAS Name: 1-cyclopropyl-2,3-bis(4-methylsulfonyl-2-nitrophenyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-2,3-bis(4-methylsulfonyl-2-nitrophenyl)propane-1,3-dione Traditional Name: 1-cyclopropyl-2,3-bis(4-mesyl-2-nitro-phenyl)propane-1,3-dione Formula: C20H18N2O10S2 MolecularWeight: 510.49432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O10S2/c1-33(29,30)12-5-7-14(16(9-12)21(25)26)18(19(23)11-3-4-11)20(24)15-8-6-13(34(2,31)32)10-17(15)22(27)28/h5-11,18H,3-4H2,1-2H3