sodium 3-(butanoylamino)-2,4,6-tris(iodanyl)-5-(pentylcarbamoyl)benzoate

Systemtic Name: sodium 3-(butanoylamino)-2,4,6-tris(iodanyl)-5-(pentylcarbamoyl)benzoate Openeye Name: sodium 3-(butanoylamino)-2,4,6-triiodo-5-(pentylcarbamoyl)benzoate CAS Name: sodium 2,4,6-triiodo-3-(1-oxobutylamino)-5-[oxo-(pentylamino)methyl]benzoate IUPAC Name: sodium 3-(butanoylamino)-2,4,6-triiodo-5-(pentylcarbamoyl)benzoate Traditional Name: sodium 3-(amylcarbamoyl)-5-butyramido-2,4,6-triiodo-benzoate Formula: C17H20I3N2NaO4 MolecularWeight: 720.05488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCC)I)C(=O)[O-])I.[Na+]

Isomeric SMILES

CCCCCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCC)I)C(=O)[O-])I.[Na+]

InChI

InChI=1S/C17H21I3N2O4.Na/c1-3-5-6-8-21-16(24)10-12(18)11(17(25)26)14(20)15(13(10)19)22-9(23)7-4-2;/h3-8H2,1-2H3,(H,21,24)(H,22,23)(H,25,26);/q;+1/p-1