N1',N18,N18,N18'-tetrakis(4-nitrophenyl)octadecanediimidamide

Systemtic Name: N1',N18,N18,N18'-tetrakis(4-nitrophenyl)octadecanediimidamide Openeye Name: N1',N18,N18,N18'-tetrakis(4-nitrophenyl)octadecanediamidine CAS Name: N1',N18,N18,N18'-tetrakis(4-nitrophenyl)octadecanediimidamide IUPAC Name: 1-N',18-N,18-N,18-N'-tetrakis(4-nitrophenyl)octadecanediimidamide Traditional Name: N1',N18,N18,N18'-tetrakis(4-nitrophenyl)octadecanediamidine Formula: C42H50N8O8 MolecularWeight: 794.8952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(CCCCCCCCCCCCCCCCC(=NC2=CC=C(C=C2)[N+](=O)[O-])N(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=C(CCCCCCCCCCCCCCCCC(=NC2=CC=C(C=C2)[N+](=O)[O-])N(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C42H50N8O8/c43-41(44-33-17-21-37(22-18-33)47(51)52)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-42(45-34-19-23-38(24-20-34)48(53)54)46(35-25-29-39(30-26-35)49(55)56)36-27-31-40(32-28-36)50(57)58/h17-32H,1-16H2,(H2,43,44)