[3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] nitrate

Systemtic Name: [3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] nitrate Openeye Name: [3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] nitrate CAS Name: nitric acid [3,5-bis(4-methyl-3,5-dinitrophenyl)-1-adamantyl] ester IUPAC Name: [3,5-bis(4-methyl-3,5-dinitrophenyl)-1-adamantyl] nitrate Traditional Name: nitric acid [3,5-bis(4-methyl-3,5-dinitro-phenyl)-1-adamantyl] ester Formula: C24H23N5O11 MolecularWeight: 557.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)(CC(C4)(C3)O[N+](=O)[O-])C5=CC(=C(C(=C5)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)(CC(C4)(C3)O[N+](=O)[O-])C5=CC(=C(C(=C5)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O11/c1-13-18(25(30)31)3-16(4-19(13)26(32)33)22-7-15-8-23(10-22,12-24(9-15,11-22)40-29(38)39)17-5-20(27(34)35)14(2)21(6-17)28(36)37/h3-6,15H,7-12H2,1-2H3