cobalt; propanedioic acid; 1,4,8,11-tetrazacyclotetradecane; nitrate; dihydrate

Systemtic Name: cobalt; propanedioic acid; 1,4,8,11-tetrazacyclotetradecane; nitrate; dihydrate Openeye Name: cobalt; malonic acid; 1,4,8,11-tetrazacyclotetradecane; nitrate; dihydrate CAS Name: cobalt; propanedioic acid; 1,4,8,11-tetrazacyclotetradecane; nitrate; dihydrate IUPAC Name: cobalt; propanedioic acid; 1,4,8,11-tetrazacyclotetradecane; nitrate; dihydrate Traditional Name: cobalt; malonic acid; 1,4,8,11-tetrazacyclotetradecane; nitrate; dihydrate Formula: C13H32CoN5O9- MolecularWeight: 461.35448

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCNCCNC1.C(C(=O)O)C(=O)O.[N+](=O)([O-])[O-].O.O.[Co]

Isomeric SMILES

C1CNCCNCCCNCCNC1.C(C(=O)O)C(=O)O.[N+](=O)([O-])[O-].O.O.[Co]

InChI

InChI=1S/C10H24N4.C3H4O4.Co.NO3.2H2O/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;4-2(5)1-3(6)7;;2-1(3)4;;/h11-14H,1-10H2;1H2,(H,4,5)(H,6,7);;;2*1H2/q;;;-1;;