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

Systemtic Name: sodium 2-[4-[3-acetamido-2,4,6-tris(iodanyl)phenoxy]butoxymethyl]butanoate Openeye Name: sodium 2-[4-(3-acetamido-2,4,6-triiodo-phenoxy)butoxymethyl]butanoate CAS Name: sodium 2-[4-(3-acetamido-2,4,6-triiodophenoxy)butoxymethyl]butanoate IUPAC Name: sodium 2-[4-(3-acetamido-2,4,6-triiodophenoxy)butoxymethyl]butanoate Traditional Name: sodium 2-[4-(3-acetamido-2,4,6-triiodo-phenoxy)butoxymethyl]butyrate Formula: C17H21I3NNaO5 MolecularWeight: 723.05552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCCCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(COCCCCOC1=C(C=C(C(=C1I)NC(=O)C)I)I)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H22I3NO5.Na/c1-3-11(17(23)24)9-25-6-4-5-7-26-16-13(19)8-12(18)15(14(16)20)21-10(2)22;/h8,11H,3-7,9H2,1-2H3,(H,21,22)(H,23,24);/q;+1/p-1