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

Systemtic Name: 2-nitro-5-[4-[3-[4-(4-nitro-3-oxidanyl-phenoxy)phenyl]-1-adamantyl]phenoxy]phenol Openeye Name: 5-[4-[3-[4-(3-hydroxy-4-nitro-phenoxy)phenyl]-1-adamantyl]phenoxy]-2-nitro-phenol CAS Name: 5-[4-[3-[4-(3-hydroxy-4-nitrophenoxy)phenyl]-1-adamantyl]phenoxy]-2-nitrophenol IUPAC Name: 5-[4-[3-[4-(3-hydroxy-4-nitrophenoxy)phenyl]-1-adamantyl]phenoxy]-2-nitrophenol Traditional Name: 5-[4-[3-[4-(3-hydroxy-4-nitro-phenoxy)phenyl]-1-adamantyl]phenoxy]-2-nitro-phenol Formula: C34H30N2O8 MolecularWeight: 594.6106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC(=C(C=C5)[N+](=O)[O-])O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC(=C(C=C5)[N+](=O)[O-])O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)[N+](=O)[O-])O

InChI

InChI=1S/C34H30N2O8/c37-31-14-27(9-11-29(31)35(39)40)43-25-5-1-23(2-6-25)33-16-21-13-22(17-33)19-34(18-21,20-33)24-3-7-26(8-4-24)44-28-10-12-30(36(41)42)32(38)15-28/h1-12,14-15,21-22,37-38H,13,16-20H2