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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)NCC(C)C)I)I.[Na+]

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C=C(C(=C1I)C(=O)NCC(C)C)I)I.[Na+]

InChI

InChI=1S/C15H18I3NO4.Na/c1-4-10(15(21)22)23-13-9(17)5-8(16)11(12(13)18)14(20)19-6-7(2)3;/h5,7,10H,4,6H2,1-3H3,(H,19,20)(H,21,22);/q;+1/p-1