1,4,7-tris[[ethoxy(methyl)phosphoryl]methyl]-10-(phenylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7-tris[[ethoxy(methyl)phosphoryl]methyl]-10-(phenylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1-benzyl-4,7,10-tris[[ethoxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-tris[[ethoxy(methyl)phosphoryl]methyl]-10-(phenylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-benzyl-4,7,10-tris[[ethoxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1-benzyl-4,7,10-tris[[ethoxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododecane Formula: C27H53N4O6P3 MolecularWeight: 622.654203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C)CN1CCN(CCN(CCN(CC1)CP(=O)(C)OCC)CP(=O)(C)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCOP(=O)(C)CN1CCN(CCN(CCN(CC1)CP(=O)(C)OCC)CP(=O)(C)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C27H53N4O6P3/c1-7-35-38(4,32)24-29-17-15-28(23-27-13-11-10-12-14-27)16-18-30(25-39(5,33)36-8-2)20-22-31(21-19-29)26-40(6,34)37-9-3/h10-14H,7-9,15-26H2,1-6H3