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sodium 4-[3-(ethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate

sodium 4-[3-(ethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate

Systemtic Name:sodium 4-[3-(ethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate
Openeye Name:sodium 4-[3-(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoate
CAS Name:sodium 4-[3-(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate
IUPAC Name:sodium 4-[3-(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate
Traditional Name:sodium 4-[3-(ethylcarbamoyl)-2,4,6-triiodo-phenoxy]butyrate
Formula: C13H13I3NNaO4
MolecularWeight: 650.9498
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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(C(=C(C=C1I)I)OCCCC(=O)[O-])I.[Na+]


Isomeric SMILES

CCNC(=O)C1=C(C(=C(C=C1I)I)OCCCC(=O)[O-])I.[Na+]


InChI

InChI=1S/C13H14I3NO4.Na/c1-2-17-13(20)10-7(14)6-8(15)12(11(10)16)21-5-3-4-9(18)19;/h6H,2-5H2,1H3,(H,17,20)(H,18,19);/q;+1/p-1


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