[3-[2,5-dinitro-4-(3-nitrooxy-1-adamantyl)phenyl]-1-adamantyl] nitrate

Systemtic Name: [3-[2,5-dinitro-4-(3-nitrooxy-1-adamantyl)phenyl]-1-adamantyl] nitrate Openeye Name: [3-[2,5-dinitro-4-(3-nitrooxy-1-adamantyl)phenyl]-1-adamantyl] nitrate CAS Name: nitric acid [3-[2,5-dinitro-4-(3-nitrooxy-1-adamantyl)phenyl]-1-adamantyl] ester IUPAC Name: [3-[2,5-dinitro-4-(3-nitrooxy-1-adamantyl)phenyl]-1-adamantyl] nitrate Traditional Name: nitric acid [3-[2,5-dinitro-4-(3-nitrooxy-1-adamantyl)phenyl]-1-adamantyl] ester Formula: C26H30N4O10 MolecularWeight: 558.5372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])C4=CC(=C(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)(C6)O[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O[N+](=O)[O-])C4=CC(=C(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)(C6)O[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O10/c31-27(32)21-4-20(24-7-17-2-18(8-24)12-26(11-17,14-24)40-30(37)38)22(28(33)34)3-19(21)23-5-15-1-16(6-23)10-25(9-15,13-23)39-29(35)36/h3-4,15-18H,1-2,5-14H2