1,3-bis(3,5-dinitrophenyl)-2-oxidanyl-2-(5-oxidanylpentyl)propane-1,3-dione

Systemtic Name: 1,3-bis(3,5-dinitrophenyl)-2-oxidanyl-2-(5-oxidanylpentyl)propane-1,3-dione Openeye Name: 1,3-bis(3,5-dinitrophenyl)-2-hydroxy-2-(5-hydroxypentyl)propane-1,3-dione CAS Name: 1,3-bis(3,5-dinitrophenyl)-2-hydroxy-2-(5-hydroxypentyl)propane-1,3-dione IUPAC Name: 1,3-bis(3,5-dinitrophenyl)-2-hydroxy-2-(5-hydroxypentyl)propane-1,3-dione Traditional Name: 1,3-bis(3,5-dinitrophenyl)-2-hydroxy-2-(5-hydroxypentyl)propane-1,3-dione Formula: C20H18N4O12 MolecularWeight: 506.37652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O12/c25-5-3-1-2-4-20(28,18(26)12-6-14(21(29)30)10-15(7-12)22(31)32)19(27)13-8-16(23(33)34)11-17(9-13)24(35)36/h6-11,25,28H,1-5H2