N,N,N',N'-tetrakis(benzotriazol-1-ylmethyl)hexane-1,6-diamine

Systemtic Name: N,N,N',N'-tetrakis(benzotriazol-1-ylmethyl)hexane-1,6-diamine Openeye Name: N,N,N',N'-tetrakis(benzotriazol-1-ylmethyl)hexane-1,6-diamine CAS Name: N,N,N',N'-tetrakis(1-benzotriazolylmethyl)hexane-1,6-diamine IUPAC Name: N,N,N',N'-tetrakis(benzotriazol-1-ylmethyl)hexane-1,6-diamine Traditional Name: bis(benzotriazol-1-ylmethyl)-[6-[bis(benzotriazol-1-ylmethyl)amino]hexyl]amine Formula: C34H36N14 MolecularWeight: 640.74344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN(CCCCCCN(CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)CN7C8=CC=CC=C8N=N7

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN(CCCCCCN(CN3C4=CC=CC=C4N=N3)CN5C6=CC=CC=C6N=N5)CN7C8=CC=CC=C8N=N7

InChI

InChI=1S/C34H36N14/c1(11-21-43(23-45-31-17-7-3-13-27(31)35-39-45)24-46-32-18-8-4-14-28(32)36-40-46)2-12-22-44(25-47-33-19-9-5-15-29(33)37-41-47)26-48-34-20-10-6-16-30(34)38-42-48/h3-10,13-20H,1-2,11-12,21-26H2