N-(2,4-dinitro-6-octadecoxy-phenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

Systemtic Name: N-(2,4-dinitro-6-octadecoxy-phenyl)-2,4-dinitro-6-(trifluoromethyl)aniline Openeye Name: N-(2,4-dinitro-6-octadecoxy-phenyl)-2,4-dinitro-6-(trifluoromethyl)aniline CAS Name: N-(2,4-dinitro-6-octadecoxyphenyl)-2,4-dinitro-6-(trifluoromethyl)aniline IUPAC Name: N-(2,4-dinitro-6-octadecoxyphenyl)-2,4-dinitro-6-(trifluoromethyl)aniline Traditional Name: (2,4-dinitro-6-stearyloxy-phenyl)-[2,4-dinitro-6-(trifluoromethyl)phenyl]amine Formula: C31H42F3N5O9 MolecularWeight: 685.68849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H42F3N5O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-48-28-22-24(37(42)43)21-27(39(46)47)30(28)35-29-25(31(32,33)34)19-23(36(40)41)20-26(29)38(44)45/h19-22,35H,2-18H2,1H3