Calcium Sodium 2,2',2'',2''',2''''-(1,2-Ethanediylnitrilo)Pentaacetate Hydrate (1:3:1:1)
[CAS 207226-35-5]

Identification

• Name: Calcium Sodium 2,2',2'',2''',2''''-(1,2-Ethanediylnitrilo)Pentaacetate Hydrate (1:3:1:1)
• Synonyms: Calcium-trisodium diethylenetriamine-pentaacetate hydrate; Diethylenetriamine-pentaacetic acid calcium trisodium salt hydrate; 32325_FLUKA
• Molecular Formula: C₁₄H₂₀CaN₃Na₃O₁₁
• Molecular Weight: 515.37
• CAS Registry Number: 207226-35-5
• SMILES: [Ca+2].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.O
• InChI: 1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
• InChIKey: AWBWYUNJDQLQGT-UHFFFAOYSA-I

Properties

• Refractive index: (Cal.)