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

Systemtic Name: 4,6-dinitro-N3,N3-dioctadecyl-benzene-1,3-diamine Openeye Name: 4,6-dinitro-N3,N3-dioctadecyl-benzene-1,3-diamine CAS Name: 4,6-dinitro-N3,N3-dioctadecylbenzene-1,3-diamine IUPAC Name: 4,6-dinitro-3-N,3-N-dioctadecylbenzene-1,3-diamine Traditional Name: (5-amino-2,4-dinitro-phenyl)-distearyl-amine Formula: C42H78N4O4 MolecularWeight: 703.09312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C42H78N4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(41-37-39(43)40(45(47)48)38-42(41)46(49)50)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36,43H2,1-2H3