2-methyl-2-[[4-(2-oxidanylideneethoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid

Systemtic Name: 2-methyl-2-[[4-(2-oxidanylideneethoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid Openeye Name: 2-methyl-2-[[4-(2-oxoethoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid CAS Name: 2-methyl-2-[[4-(2-oxoethoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid IUPAC Name: 2-methyl-2-[[4-(2-oxoethoxy)phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid Traditional Name: 2-[4-(2-ketoethoxy)benzyl]-2-methyl-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetracarboxylic acid Formula: C22H30N4O10 MolecularWeight: 510.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(CCN(CCN1C(=O)O)C(=O)O)C(=O)O)C(=O)O)CC2=CC=C(C=C2)OCC=O

Isomeric SMILES

CC1(CN(CCN(CCN(CCN1C(=O)O)C(=O)O)C(=O)O)C(=O)O)CC2=CC=C(C=C2)OCC=O

InChI

InChI=1S/C22H30N4O10/c1-22(14-16-2-4-17(5-3-16)36-13-12-27)15-25(20(32)33)9-8-23(18(28)29)6-7-24(19(30)31)10-11-26(22)21(34)35/h2-5,12H,6-11,13-15H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)