2-[4-[2,3-bis(oxidanyl)propyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2,3-bis(oxidanyl)propyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-(2,3-dihydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-(2,3-dihydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-(2,3-dihydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-glyceryl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C17H32N4O8 MolecularWeight: 420.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(CO)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(CO)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H32N4O8/c22-13-14(23)9-18-1-3-19(10-15(24)25)5-7-21(12-17(28)29)8-6-20(4-2-18)11-16(26)27/h14,22-23H,1-13H2,(H,24,25)(H,26,27)(H,28,29)