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

Systemtic Name: 4-[bis(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[bis(4,4-dimethyl-2-oxido-6-oxo-cyclohexen-1-yl)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[bis(4,4-dimethyl-2-oxido-6-oxo-1-cyclohexenyl)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[bis(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[bis(6-keto-4,4-dimethyl-2-oxido-cyclohexen-1-yl)methyl]-2-methoxy-6-nitro-phenolate Formula: C24H26NO8-3 MolecularWeight: 456.46514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO8/c1-23(2)8-14(26)20(15(27)9-23)19(21-16(28)10-24(3,4)11-17(21)29)12-6-13(25(31)32)22(30)18(7-12)33-5/h6-7,19,26,28,30H,8-11H2,1-5H3/p-3