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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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