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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C4=CC(=C(C=C4)O)[N+](=O)[O-])C5=CC(=C(C=C5)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C4=CC(=C(C=C4)O)[N+](=O)[O-])C5=CC(=C(C=C5)O)[N+](=O)[O-]

InChI

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