gadolinium(3+); methanolate; oxidanidyl-oxidanylidene-[[4,7,10-tris(phosphonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphanium

Systemtic Name: gadolinium(3+); methanolate; oxidanidyl-oxidanylidene-[[4,7,10-tris(phosphonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphanium Openeye Name: gadolinium(3+); methanolate; oxido-oxo-[[4,7,10-tris(phosphonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphonium CAS Name: gadolinium(3+); methanolate; oxido-oxo-[[4,7,10-tris(phosphonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphonium IUPAC Name: gadolinium(3+); methanolate; oxido-oxo-[[4,7,10-tris(phosphonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphanium Traditional Name: gadolinium(3+); keto-oxido-[[4,7,10-tris(phosphonatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphonium; methanolate Formula: C13H27GdN4O12P4-4 MolecularWeight: 712.518124

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C1CN(CCN(CCN(CCN1C[P+](=O)[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3]

Isomeric SMILES

C[O-].C1CN(CCN(CCN(CCN1C[P+](=O)[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3]

InChI

InChI=1S/C12H30N4O11P4.CH3O.Gd/c17-28(18)9-13-1-3-14(10-29(19,20)21)5-7-16(12-31(25,26)27)8-6-15(4-2-13)11-30(22,23)24;1-2;/h1-12H2,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);1H3;/q;-1;+3/p-6