zinc 2-azanyl-5-oxidanylidene-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid diperchlorate

Systemtic Name: zinc 2-azanyl-5-oxidanylidene-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid diperchlorate Openeye Name: zinc 2-amino-5-oxo-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid diperchlorate CAS Name: zinc 2-amino-5-oxo-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid diperchlorate IUPAC Name: zinc 2-amino-5-oxo-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid diperchlorate Traditional Name: zinc 2-amino-5-keto-5-(1,4,7,10-tetrazacyclododec-1-yl)valeric acid diperchlorate Formula: C13H27Cl2N5O11Zn MolecularWeight: 565.69538

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(=O)CCC(C(=O)O)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2]

Isomeric SMILES

C1CNCCN(CCNCCN1)C(=O)CCC(C(=O)O)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2]

InChI

InChI=1S/C13H27N5O3.2ClHO4.Zn/c14-11(13(20)21)1-2-12(19)18-9-7-16-5-3-15-4-6-17-8-10-18;2*2-1(3,4)5;/h11,15-17H,1-10,14H2,(H,20,21);2*(H,2,3,4,5);/q;;;+2/p-2