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4-nitro-2-[3-(5-nitro-2-oxidanidyl-phenyl)-1-adamantyl]phenolate

4-nitro-2-[3-(5-nitro-2-oxidanidyl-phenyl)-1-adamantyl]phenolate

Systemtic Name:4-nitro-2-[3-(5-nitro-2-oxidanidyl-phenyl)-1-adamantyl]phenolate
Openeye Name:4-nitro-2-[3-(5-nitro-2-oxido-phenyl)-1-adamantyl]phenolate
CAS Name:4-nitro-2-[3-(5-nitro-2-oxidophenyl)-1-adamantyl]phenolate
IUPAC Name:4-nitro-2-[3-(5-nitro-2-oxidophenyl)-1-adamantyl]phenolate
Traditional Name:4-nitro-2-[3-(5-nitro-2-oxido-phenyl)-1-adamantyl]phenolate
Formula: C22H20N2O6-2
MolecularWeight: 408.404
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])C5=C(C=CC(=C5)[N+](=O)[O-])[O-]


Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=C(C=CC(=C4)[N+](=O)[O-])[O-])C5=C(C=CC(=C5)[N+](=O)[O-])[O-]


InChI

InChI=1S/C22H22N2O6/c25-19-3-1-15(23(27)28)6-17(19)21-8-13-5-14(9-21)11-22(10-13,12-21)18-7-16(24(29)30)2-4-20(18)26/h1-4,6-7,13-14,25-26H,5,8-12H2/p-2


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