iron(2+); 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane; tris(fluoranyl)methanesulfonate

Systemtic Name: iron(2+); 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane; tris(fluoranyl)methanesulfonate Openeye Name: ferrous; 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane; trifluoromethanesulfonate CAS Name: iron(2+); 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane; trifluoromethanesulfonate IUPAC Name: iron(2+); 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane; trifluoromethanesulfonate Traditional Name: ferrous 1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane ditriflate Formula: C16H32F6FeN4O6S2 MolecularWeight: 610.413899

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CCN(CCCN(CC1)C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

CN1CCCN(CCN(CCCN(CC1)C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/C14H32N4.2CHF3O3S.Fe/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15;2*2-1(3,4)8(5,6)7;/h5-14H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2