2-[(S)-(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)-(2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(S)-(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)-(2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-nitro-phenolate Openeye Name: 2-[(S)-(4,4-dimethyl-2-oxido-6-oxo-cyclohexen-1-yl)-(2-oxido-6-oxo-cyclohexen-1-yl)methyl]-4-nitro-phenolate CAS Name: 2-[(S)-(4,4-dimethyl-2-oxido-6-oxo-1-cyclohexenyl)-(2-oxido-6-oxo-1-cyclohexenyl)methyl]-4-nitrophenolate IUPAC Name: 2-[(S)-(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)-(2-oxido-6-oxocyclohexen-1-yl)methyl]-4-nitrophenolate Traditional Name: 2-[(S)-(6-keto-4,4-dimethyl-2-oxido-cyclohexen-1-yl)-(6-keto-2-oxido-cyclohexen-1-yl)methyl]-4-nitro-phenolate Formula: C21H20NO7-3 MolecularWeight: 398.386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=C(CCCC3=O)[O-])[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@@H](C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=C(CCCC3=O)[O-])[O-])C

InChI

InChI=1S/C21H23NO7/c1-21(2)9-16(26)20(17(27)10-21)18(19-14(24)4-3-5-15(19)25)12-8-11(22(28)29)6-7-13(12)23/h6-8,18,23-24,26H,3-5,9-10H2,1-2H3/p-3/t18-/m0/s1