2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-[1,4,5-tris(oxidanyl)pentan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name: 2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-[1,4,5-tris(oxidanyl)pentan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: 2-[7-[3,4-dihydroxy-1-(hydroxymethyl)butyl]-4,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4,10-bis(2-oxido-2-oxoethyl)-7-(1,4,5-trihydroxypentan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: 2-[4,10-bis(2-oxido-2-oxoethyl)-7-(1,4,5-trihydroxypentan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[7-(3,4-dihydroxy-1-methylol-butyl)-4,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C19H33N4O9-3 MolecularWeight: 461.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CC(CO)O)CO)CC(=O)[O-]

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CC(CO)O)CO)CC(=O)[O-]

InChI

InChI=1S/C19H36N4O9/c24-13-15(9-16(26)14-25)23-7-5-21(11-18(29)30)3-1-20(10-17(27)28)2-4-22(6-8-23)12-19(31)32/h15-16,24-26H,1-14H2,(H,27,28)(H,29,30)(H,31,32)/p-3