4,6-dinitro-N3-octadecyl-benzene-1,3-diamine

Systemtic Name: 4,6-dinitro-N3-octadecyl-benzene-1,3-diamine Openeye Name: 4,6-dinitro-N3-octadecyl-benzene-1,3-diamine CAS Name: 4,6-dinitro-N3-octadecylbenzene-1,3-diamine IUPAC Name: 4,6-dinitro-3-N-octadecylbenzene-1,3-diamine Traditional Name: (5-amino-2,4-dinitro-phenyl)-stearyl-amine Formula: C24H42N4O4 MolecularWeight: 450.61468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H42N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22-19-21(25)23(27(29)30)20-24(22)28(31)32/h19-20,26H,2-18,25H2,1H3