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

Systemtic Name: 2-[bis(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-4-nitro-phenolate Openeye Name: 2-[bis(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-4-nitro-phenolate CAS Name: 2-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-4-nitrophenolate IUPAC Name: 2-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-4-nitrophenolate Traditional Name: 2-[bis(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-4-nitro-phenolate Formula: C23H26NO7- MolecularWeight: 428.45504

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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(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C23H27NO7/c1-22(2)8-15(26)20(16(27)9-22)19(13-7-12(24(30)31)5-6-14(13)25)21-17(28)10-23(3,4)11-18(21)29/h5-7,19,25-26,28H,8-11H2,1-4H3/p-1