bis(chloranyl)iron; 1,4,7-trimethyl-1,4,7-triazonane; hydrate

Systemtic Name: bis(chloranyl)iron; 1,4,7-trimethyl-1,4,7-triazonane; hydrate Openeye Name: dichloroiron; 1,4,7-trimethyl-1,4,7-triazonane; hydrate CAS Name: dichloroiron; 1,4,7-trimethyl-1,4,7-triazonane; hydrate IUPAC Name: dichloroiron; 1,4,7-trimethyl-1,4,7-triazonane; hydrate Traditional Name: dichloroiron; 1,4,7-trimethyl-1,4,7-triazonane; hydrate Formula: C18H44Cl4Fe2N6O MolecularWeight: 614.08356

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCN(CC1)C)C.CN1CCN(CCN(CC1)C)C.O.Cl[Fe]Cl.Cl[Fe]Cl

Isomeric SMILES

CN1CCN(CCN(CC1)C)C.CN1CCN(CCN(CC1)C)C.O.Cl[Fe]Cl.Cl[Fe]Cl

InChI

InChI=1S/2C9H21N3.4ClH.2Fe.H2O/c2*1-10-4-6-11(2)8-9-12(3)7-5-10;;;;;;;/h2*4-9H2,1-3H3;4*1H;;;1H2/q;;;;;;2*+2;/p-4