4-nitro-2-[3-(5-nitro-2-oxidanyl-phenyl)-1-adamantyl]phenol

Systemtic Name: 4-nitro-2-[3-(5-nitro-2-oxidanyl-phenyl)-1-adamantyl]phenol Openeye Name: 2-[3-(2-hydroxy-5-nitro-phenyl)-1-adamantyl]-4-nitro-phenol CAS Name: 2-[3-(2-hydroxy-5-nitrophenyl)-1-adamantyl]-4-nitrophenol IUPAC Name: 2-[3-(2-hydroxy-5-nitrophenyl)-1-adamantyl]-4-nitrophenol Traditional Name: 2-[3-(2-hydroxy-5-nitro-phenyl)-1-adamantyl]-4-nitro-phenol Formula: C22H22N2O6 MolecularWeight: 410.41988

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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