tricalcium 1,1,2,2-tetraphosphonatoethane-1,2-diamine

Systemtic Name: tricalcium 1,1,2,2-tetraphosphonatoethane-1,2-diamine Openeye Name: tricalcium 1,1,2,2-tetraphosphonatoethane-1,2-diamine CAS Name: tricalcium 1,1,2,2-tetraphosphonatoethane-1,2-diamine IUPAC Name: tricalcium 1,1,2,2-tetraphosphonatoethane-1,2-diamine Traditional Name: tricalcium (2-amino-1,1,2,2-tetraphosphonato-ethyl)amine Formula: C2H4Ca3N2O12P4-2 MolecularWeight: 492.188404

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Descriptors Computed from Structure

Canonical SMILES:

C(C(N)(P(=O)([O-])[O-])P(=O)([O-])[O-])(N)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(C(N)(P(=O)([O-])[O-])P(=O)([O-])[O-])(N)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C2H12N2O12P4.3Ca/c3-1(17(5,6)7,18(8,9)10)2(4,19(11,12)13)20(14,15)16;;;/h3-4H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);;;/q;3*+2/p-8