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

Systemtic Name: sodium 4-[2,4,6-tris(iodanyl)-3-(2-methylpropylcarbamoyl)phenoxy]butanoate Openeye Name: sodium 4-[2,4,6-triiodo-3-(isobutylcarbamoyl)phenoxy]butanoate CAS Name: sodium 4-[2,4,6-triiodo-3-[(2-methylpropylamino)-oxomethyl]phenoxy]butanoate IUPAC Name: sodium 4-[2,4,6-triiodo-3-(2-methylpropylcarbamoyl)phenoxy]butanoate Traditional Name: sodium 4-[2,4,6-triiodo-3-(isobutylcarbamoyl)phenoxy]butyrate Formula: C15H17I3NNaO4 MolecularWeight: 679.00296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I3NO4.Na/c1-8(2)7-19-15(22)12-9(16)6-10(17)14(13(12)18)23-5-3-4-11(20)21;/h6,8H,3-5,7H2,1-2H3,(H,19,22)(H,20,21);/q;+1/p-1