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tris(phenylmethyl) 1,4,7-triazonane-1,2,2-tricarboxylate

tris(phenylmethyl) 1,4,7-triazonane-1,2,2-tricarboxylate

Systemtic Name:tris(phenylmethyl) 1,4,7-triazonane-1,2,2-tricarboxylate
Openeye Name:tribenzyl 1,4,7-triazonane-1,2,2-tricarboxylate
CAS Name:1,4,7-triazonane-1,2,2-tricarboxylic acid tris(phenylmethyl) ester
IUPAC Name:tribenzyl 1,4,7-triazonane-1,2,2-tricarboxylate
Traditional Name:1,4,7-triazonane-1,2,2-tricarboxylic acid tribenzyl ester
Formula: C30H33N3O6
MolecularWeight: 531.59952
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(CCN1)C(=O)OCC2=CC=CC=C2)(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4


Isomeric SMILES

C1CNCC(N(CCN1)C(=O)OCC2=CC=CC=C2)(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4


InChI

InChI=1S/C30H33N3O6/c34-27(37-20-24-10-4-1-5-11-24)30(28(35)38-21-25-12-6-2-7-13-25)23-32-17-16-31-18-19-33(30)29(36)39-22-26-14-8-3-9-15-26/h1-15,31-32H,16-23H2


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