2-methyl-2-(11-oxidanyl-11-phenylmethoxy-undecyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid

Systemtic Name: 2-methyl-2-(11-oxidanyl-11-phenylmethoxy-undecyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Openeye Name: 2-(11-benzyloxy-11-hydroxy-undecyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid CAS Name: 2-(11-hydroxy-11-phenylmethoxyundecyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid IUPAC Name: 2-(11-hydroxy-11-phenylmethoxyundecyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Traditional Name: 2-(11-benzoxy-11-hydroxy-undecyl)-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid Formula: C30H50N4O8 MolecularWeight: 594.74

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(CCNCCN1C(=O)O)C(=O)O)C(=O)O)CCCCCCCCCCC(O)OCC2=CC=CC=C2

Isomeric SMILES

CC1(CN(CCN(CCNCCN1C(=O)O)C(=O)O)C(=O)O)CCCCCCCCCCC(O)OCC2=CC=CC=C2

InChI

InChI=1S/C30H50N4O8/c1-30(16-12-7-5-3-2-4-6-11-15-26(35)42-23-25-13-9-8-10-14-25)24-33(28(38)39)22-21-32(27(36)37)19-17-31-18-20-34(30)29(40)41/h8-10,13-14,26,31,35H,2-7,11-12,15-24H2,1H3,(H,36,37)(H,38,39)(H,40,41)