2-[(S)-(3,4-dinitrophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione

Systemtic Name: 2-[(S)-(3,4-dinitrophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione Openeye Name: 2-[(S)-(3,4-dinitrophenyl)-(2-hydroxy-6-oxo-cyclohexen-1-yl)methyl]cyclohexane-1,3-dione CAS Name: 2-[(S)-(3,4-dinitrophenyl)-(2-hydroxy-6-oxo-1-cyclohexenyl)methyl]cyclohexane-1,3-dione IUPAC Name: 2-[(S)-(3,4-dinitrophenyl)-(2-hydroxy-6-oxocyclohexen-1-yl)methyl]cyclohexane-1,3-dione Traditional Name: 2-[(S)-(3,4-dinitrophenyl)-(2-hydroxy-6-keto-cyclohexen-1-yl)methyl]cyclohexane-1,3-quinone Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(CCCC3=O)O

Isomeric SMILES

C1CC(=O)C(C(=O)C1)[C@@H](C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C(CCCC3=O)O

InChI

InChI=1S/C19H18N2O8/c22-13-3-1-4-14(23)18(13)17(19-15(24)5-2-6-16(19)25)10-7-8-11(20(26)27)12(9-10)21(28)29/h7-9,17-18,24H,1-6H2/t17-/m1/s1