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Sodium (2-{3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy}ethoxy)(phenyl)acetate

ChemSpider ID: 53769
Molecular Formula: C₂₀H₁₉I₃NNaO₅
Average mass: 757.071716 Da
Monoisotopic mass: 756.829468 Da
Systematic name

Sodium (2-{3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy}ethoxy)(phenyl)acetate
SMILES and InChIs

SMILES:

[Na+].O=C(N(c2c(I)cc(I)c(OCCOC(c1ccccc1)C([O-])=O)c2I)CC)C Copied

Std. InChI:

InChI=1S/C20H20I3NO5.Na/c1-3-24(12(2)25)17-14(21)11-15(22)19(16(17)23)29-10-9-28-18(20(26)27)13-7-5-4-6-8-13;/h4-8,11,18H,3,9-10H2,1-2H3,(H,26,27);/q;+1/p-1 Copied

Std. InChIKey:

ZCMPPFAMGUACSR-UHFFFAOYSA-M Copied
Cite this record
CSID:53769, http://www.chemspider.com/Chemical-Structure.53769.html (accessed 23:51, May 24, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

102585-52-4 [RN]

2-(2-(3-(N-Ethylacetamido)-2,4,6-triiodophenoxy)ethoxy)-2-phenylacetic acid sodium salt

Acetic acid, 2-(2-(3-(N-ethylacetamido)-2,4,6-triiodophenoxy)ethoxy)-2-phenyl-, sodium salt

sodium(2-{3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy}ethoxy)(phenyl)acetate

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

Click to predict properties on the Chemicalize site

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