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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(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

C1C2CC3CC1CC(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/c37-32-18-28(9-11-30(32)35(39)40)43-26-5-1-22(2-6-26)34(24-14-20-13-21(16-24)17-25(34)15-20)23-3-7-27(8-4-23)44-29-10-12-31(36(41)42)33(38)19-29/h1-12,18-21,24-25,37-38H,13-17H2