2-(1-oxidanylpropylidene)-5-(2,4,6-trimethyl-3,5-dinitro-phenyl)cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylpropylidene)-5-(2,4,6-trimethyl-3,5-dinitro-phenyl)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3,5-dinitro-phenyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3,5-dinitrophenyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3,5-dinitrophenyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-(2,4,6-trimethyl-3,5-dinitro-phenyl)cyclohexane-1,3-quinone Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C(=C2C)[N+](=O)[O-])C)[N+](=O)[O-])C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C(=C2C)[N+](=O)[O-])C)[N+](=O)[O-])C)O

InChI

InChI=1S/C18H20N2O7/c1-5-12(21)16-13(22)6-11(7-14(16)23)15-8(2)17(19(24)25)10(4)18(9(15)3)20(26)27/h11,21H,5-7H2,1-4H3