copper 1,4,8,11-tetrazacyclotetradecane diethanoate heptahydrate

Systemtic Name: copper 1,4,8,11-tetrazacyclotetradecane diethanoate heptahydrate Openeye Name: copper 1,4,8,11-tetrazacyclotetradecane diacetate heptahydrate CAS Name: copper 1,4,8,11-tetrazacyclotetradecane diacetate heptahydrate IUPAC Name: copper 1,4,8,11-tetrazacyclotetradecane diacetate heptahydrate Traditional Name: cupric 1,4,8,11-tetrazacyclotetradecane diacetate heptahydrate Formula: C24H68CuN8O11 MolecularWeight: 708.38972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.O.O.O.O.O.O.O.[Cu+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.O.O.O.O.O.O.O.[Cu+2]

InChI

InChI=1S/2C10H24N4.2C2H4O2.Cu.7H2O/c2*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;2*1-2(3)4;;;;;;;;/h2*11-14H,1-10H2;2*1H3,(H,3,4);;7*1H2/q;;;;+2;;;;;;;/p-2