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sodium 2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]hexanoate

sodium 2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]hexanoate

Systemtic Name:sodium 2-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]hexanoate
Openeye Name:sodium 2-(3-acetamido-2,4,6-triiodo-phenoxy)hexanoate
CAS Name:sodium 2-(3-acetamido-2,4,6-triiodophenoxy)hexanoate
IUPAC Name:sodium 2-(3-acetamido-2,4,6-triiodophenoxy)hexanoate
Traditional Name:sodium 2-(3-acetamido-2,4,6-triiodo-phenoxy)hexanoate
Formula: C14H15I3NNaO4
MolecularWeight: 664.97638
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]


Isomeric SMILES

CCCCC(C(=O)[O-])OC1=C(C=C(C(=C1I)NC(=O)C)I)I.[Na+]


InChI

InChI=1S/C14H16I3NO4.Na/c1-3-4-5-10(14(20)21)22-13-9(16)6-8(15)12(11(13)17)18-7(2)19;/h6,10H,3-5H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1


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