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

Systemtic Name: 5-[3-(1-adamantyl)-4-(4-nitro-3-oxidanyl-phenoxy)phenoxy]-2-nitro-phenol Openeye Name: 5-[3-(1-adamantyl)-4-(3-hydroxy-4-nitro-phenoxy)phenoxy]-2-nitro-phenol CAS Name: 5-[3-(1-adamantyl)-4-(3-hydroxy-4-nitrophenoxy)phenoxy]-2-nitrophenol IUPAC Name: 5-[3-(1-adamantyl)-4-(3-hydroxy-4-nitrophenoxy)phenoxy]-2-nitrophenol Traditional Name: 5-[3-(1-adamantyl)-4-(3-hydroxy-4-nitro-phenoxy)phenoxy]-2-nitro-phenol Formula: C28H26N2O8 MolecularWeight: 518.51464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC5=CC(=C(C=C5)[N+](=O)[O-])O)OC6=CC(=C(C=C6)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC5=CC(=C(C=C5)[N+](=O)[O-])O)OC6=CC(=C(C=C6)[N+](=O)[O-])O

InChI

InChI=1S/C28H26N2O8/c31-25-11-20(1-4-23(25)29(33)34)37-19-3-6-27(38-21-2-5-24(30(35)36)26(32)12-21)22(10-19)28-13-16-7-17(14-28)9-18(8-16)15-28/h1-6,10-12,16-18,31-32H,7-9,13-15H2