2-[4,7,10-tris(carboxymethyl)-6-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7,10-tris(carboxymethyl)-6-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7,10-tris(carboxymethyl)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7,10-tris(carboxymethyl)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7,10-tris(carboxymethyl)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C23H29F13N4O8 MolecularWeight: 736.477602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H29F13N4O8/c24-18(25,19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36)7-13-8-39(11-16(45)46)4-3-37(9-14(41)42)1-2-38(10-15(43)44)5-6-40(13)12-17(47)48/h13H,1-12H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)