bis(phenylmethyl) 4,10-bis(2-diethoxyphosphorylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4,10-bis(2-diethoxyphosphorylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate Openeye Name: dibenzyl 4,10-bis(2-diethoxyphosphorylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate CAS Name: 4,10-bis(2-diethoxyphosphorylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4,10-bis(2-diethoxyphosphorylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate Traditional Name: 4,10-bis(2-diethoxyphosphorylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid dibenzyl ester Formula: C36H58N4O10P2 MolecularWeight: 768.814042

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCN1CCN(CCN(CCN(CC1)C(=O)OCC2=CC=CC=C2)CCP(=O)(OCC)OCC)C(=O)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(CCN1CCN(CCN(CCN(CC1)C(=O)OCC2=CC=CC=C2)CCP(=O)(OCC)OCC)C(=O)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C36H58N4O10P2/c1-5-47-51(43,48-6-2)29-27-37-19-23-39(35(41)45-31-33-15-11-9-12-16-33)25-21-38(28-30-52(44,49-7-3)50-8-4)22-26-40(24-20-37)36(42)46-32-34-17-13-10-14-18-34/h9-18H,5-8,19-32H2,1-4H3