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

Systemtic Name: sodium 4-[3-(diethylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate Openeye Name: sodium 4-[3-(diethylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoate CAS Name: sodium 4-[3-[diethylamino(oxo)methyl]-2,4,6-triiodophenoxy]butanoate IUPAC Name: sodium 4-[3-(diethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate Traditional Name: sodium 4-[3-(diethylcarbamoyl)-2,4,6-triiodo-phenoxy]butyrate Formula: C15H17I3NNaO4 MolecularWeight: 679.00296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO4.Na/c1-3-19(4-2)15(22)12-9(16)8-10(17)14(13(12)18)23-7-5-6-11(20)21;/h8H,3-7H2,1-2H3,(H,20,21);/q;+1/p-1