2,4,6-tris(iodanyl)-3-(2-oxidanylpropylcarbamoyl)-5-(pentanoylamino)benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3-(2-oxidanylpropylcarbamoyl)-5-(pentanoylamino)benzoic acid Openeye Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-(pentanoylamino)benzoic acid CAS Name: 3-[(2-hydroxypropylamino)-oxomethyl]-2,4,6-triiodo-5-(1-oxopentylamino)benzoic acid IUPAC Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-(pentanoylamino)benzoic acid Traditional Name: 3-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-5-(valerylamino)benzoic acid Formula: C16H19I3N2O5 MolecularWeight: 700.04587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(C)O)I

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(C)O)I

InChI

InChI=1S/C16H19I3N2O5/c1-3-4-5-8(23)21-14-12(18)9(15(24)20-6-7(2)22)11(17)10(13(14)19)16(25)26/h7,22H,3-6H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)