dibutyl 9,9-bis(chloranyl)-5,12-dimethyl-1,5,8,12-tetrazabicyclo[6.6.2]hexadecane-3,10-dicarboxylate; manganese(2+)

Systemtic Name: dibutyl 9,9-bis(chloranyl)-5,12-dimethyl-1,5,8,12-tetrazabicyclo[6.6.2]hexadecane-3,10-dicarboxylate; manganese(2+) Openeye Name: manganous dibutyl 9,9-dichloro-5,12-dimethyl-1,5,8,12-tetrazabicyclo[6.6.2]hexadecane-3,10-dicarboxylate CAS Name: 9,9-dichloro-5,12-dimethyl-1,5,8,12-tetrazabicyclo[6.6.2]hexadecane-3,10-dicarboxylic acid dibutyl ester; manganese(2+) IUPAC Name: dibutyl 9,9-dichloro-5,12-dimethyl-1,5,8,12-tetrazabicyclo[6.6.2]hexadecane-3,10-dicarboxylate; manganese(2+) Traditional Name: manganous 9,9-dichloro-5,12-dimethyl-1,5,8,12-tetrazabicyclo[6.6.2]hexadecane-3,10-dicarboxylic acid dibutyl ester Formula: C24H44Cl2MnN4O4+2 MolecularWeight: 578.474609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CN(CCN2CCN(C1)CCN(CC(C2(Cl)Cl)C(=O)OCCCC)C)C.[Mn+2]

Isomeric SMILES

CCCCOC(=O)C1CN(CCN2CCN(C1)CCN(CC(C2(Cl)Cl)C(=O)OCCCC)C)C.[Mn+2]

InChI

InChI=1S/C24H44Cl2N4O4.Mn/c1-5-7-15-33-22(31)20-17-27(3)10-13-30-14-12-29(18-20)11-9-28(4)19-21(24(30,25)26)23(32)34-16-8-6-2;/h20-21H,5-19H2,1-4H3;/q;+2