2-[(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)-pyridin-4-yl-methyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)-pyridin-4-yl-methyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(4,4-dimethyl-2-oxido-6-oxo-cyclohexen-1-yl)-(4-pyridyl)methyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(4,4-dimethyl-2-oxido-6-oxo-1-cyclohexenyl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)-pyridin-4-ylmethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 3-keto-2-[(6-keto-4,4-dimethyl-2-oxido-cyclohexen-1-yl)-(4-pyridyl)methyl]-5,5-dimethyl-cyclohexen-1-olate Formula: C22H25NO4-2 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-21(2)9-14(24)19(15(25)10-21)18(13-5-7-23-8-6-13)20-16(26)11-22(3,4)12-17(20)27/h5-8,18,24,26H,9-12H2,1-4H3/p-2