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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(C=C1I)I)OC(CC)C(=O)[O-])I.[Na+]

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(C=C1I)I)OC(CC)C(=O)[O-])I.[Na+]

InChI

InChI=1S/C15H18I3NO4.Na/c1-3-5-6-19-14(20)11-8(16)7-9(17)13(12(11)18)23-10(4-2)15(21)22;/h7,10H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1