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

Systemtic Name: sodium 4-[3-(butylcarbamoyl)-2,4,6-tris(iodanyl)phenoxy]butanoate Openeye Name: sodium 4-[3-(butylcarbamoyl)-2,4,6-triiodo-phenoxy]butanoate CAS Name: sodium 4-[3-[butylamino(oxo)methyl]-2,4,6-triiodophenoxy]butanoate IUPAC Name: sodium 4-[3-(butylcarbamoyl)-2,4,6-triiodophenoxy]butanoate Traditional Name: sodium 4-[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)OCCCC(=O)[O-])I.[Na+]

Isomeric SMILES

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

InChI

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