1,2,2-tris[bis(phenylmethyl)phosphorylmethyl]-1,4,7-triazonane

Systemtic Name: 1,2,2-tris[bis(phenylmethyl)phosphorylmethyl]-1,4,7-triazonane Openeye Name: 1,2,2-tris(dibenzylphosphorylmethyl)-1,4,7-triazonane CAS Name: 1,2,2-tris[bis(phenylmethyl)phosphorylmethyl]-1,4,7-triazonane IUPAC Name: 1,2,2-tris(dibenzylphosphorylmethyl)-1,4,7-triazonane Traditional Name: 1,2,2-tris(dibenzylphosphorylmethyl)-1,4,7-triazonane Formula: C51H60N3O3P3 MolecularWeight: 855.961683

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(CCN1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3)(CP(=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)CP(=O)(CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

C1CNCC(N(CCN1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3)(CP(=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)CP(=O)(CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C51H60N3O3P3/c55-58(35-45-19-7-1-8-20-45,36-46-21-9-2-10-22-46)42-51(43-59(56,37-47-23-11-3-12-24-47)38-48-25-13-4-14-26-48)41-53-32-31-52-33-34-54(51)44-60(57,39-49-27-15-5-16-28-49)40-50-29-17-6-18-30-50/h1-30,52-53H,31-44H2