2,3,5-tris(4-dodecylphenyl)-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: 2,3,5-tris(4-dodecylphenyl)-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: 2,3,5-tris(4-dodecylphenyl)-1,3-dihydrotetrazol-3-ium CAS Name: 2,3,5-tris(4-dodecylphenyl)-1,3-dihydrotetrazol-3-ium IUPAC Name: 2,3,5-tris(4-dodecylphenyl)-1,3-dihydrotetrazol-3-ium Traditional Name: 2,3,5-tris(4-laurylphenyl)-1,3-dihydrotetrazol-3-ium Formula: C55H89N4+ MolecularWeight: 806.32196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=C(C=C3)CCCCCCCCCCCC)C4=CC=C(C=C4)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=C(C=C3)CCCCCCCCCCCC)C4=CC=C(C=C4)CCCCCCCCCCCC

InChI

InChI=1S/C55H88N4/c1-4-7-10-13-16-19-22-25-28-31-34-49-37-43-52(44-38-49)55-56-58(53-45-39-50(40-46-53)35-32-29-26-23-20-17-14-11-8-5-2)59(57-55)54-47-41-51(42-48-54)36-33-30-27-24-21-18-15-12-9-6-3/h37-48H,4-36H2,1-3H3,(H,56,57)/p+1