calcium sodium 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid

ChemSpider ID: 16124949
Molecular Formula: C₁₀H₁₆CaN₂NaO₈
Average mass: 355.308807 Da
Monoisotopic mass: 355.041382 Da
Systematic name

calcium sodium 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid
SMILES and InChIs

SMILES:

[Ca+2].[Na+].OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O Copied

Std. InChI:

InChI=1S/C10H16N2O8.Ca.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+2;+1 Copied

Std. InChIKey:

UEAVLBXLOZNDHT-UHFFFAOYSA-N Copied
Cite this record
CSID:16124949, http://www.chemspider.com/Chemical-Structure.16124949.html (accessed 15:32, May 24, 2012) Copied

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