N2-(2H-benzotriazol-5-yl)-N4,N6-dioctadecyl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-(2H-benzotriazol-5-yl)-N4,N6-dioctadecyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(2H-benzotriazol-5-yl)-N4,N6-dioctadecyl-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(2H-benzotriazol-5-yl)-N4,N6-dioctadecyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(2H-benzotriazol-5-yl)-4-N,6-N-dioctadecyl-1,3,5-triazine-2,4,6-triamine Traditional Name: 2H-benzotriazol-5-yl-[4,6-bis(stearylamino)-s-triazin-2-yl]amine Formula: C45H81N9 MolecularWeight: 748.18494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=NC(=NC(=N1)NC2=CC3=NNN=C3C=C2)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=NC(=NC(=N1)NC2=CC3=NNN=C3C=C2)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H81N9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-46-43-49-44(51-45(50-43)48-40-35-36-41-42(39-40)53-54-52-41)47-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34,37-38H2,1-2H3,(H,52,53,54)(H3,46,47,48,49,50,51)