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

Systemtic Name: N3-docosyl-4,6-dinitro-benzene-1,3-diamine Openeye Name: N3-docosyl-4,6-dinitro-benzene-1,3-diamine CAS Name: N3-docosyl-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 3-N-docosyl-4,6-dinitrobenzene-1,3-diamine Traditional Name: (5-amino-2,4-dinitro-phenyl)-behenyl-amine Formula: C28H50N4O4 MolecularWeight: 506.721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H50N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-26-23-25(29)27(31(33)34)24-28(26)32(35)36/h23-24,30H,2-22,29H2,1H3