Iron(3+) sodium [{2-[{2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino]acetate (1:1:1)

ChemSpider ID: 55476
Molecular Formula: C₁₄H₁₉FeN₃NaO₁₀
Average mass: 468.149506 Da
Monoisotopic mass: 468.031769 Da
Systematic name

Iron(3+) sodium [{2-[{2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino]acetate (1:1:1)
SMILES and InChIs

SMILES:

[Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CCN(CC(=O)O)CC([O-])=O)CC([O-])=O Copied

Std. InChI:

InChI=1S/C14H23N3O10.Fe.Na/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);;/q;+3;+1/p-4 Copied

Std. InChIKey:

UEHRTZASQAWUOJ-UHFFFAOYSA-J Copied
Cite this record
CSID:55476, http://www.chemspider.com/Chemical-Structure.55476.html (accessed 01:35, May 26, 2012) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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