sodium 3-(hexanoylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: sodium 3-(hexanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: sodium 3-(hexanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: sodium 2,4,6-triiodo-3-(1-oxohexylamino)benzoic acid IUPAC Name: sodium 3-(hexanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: sodium 3-(caproylamino)-2,4,6-triiodo-benzoic acid Formula: C13H14I3NNaO3+ MolecularWeight: 635.95834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.[Na+]

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I.[Na+]

InChI

InChI=1S/C13H14I3NO3.Na/c1-2-3-4-5-9(18)17-12-8(15)6-7(14)10(11(12)16)13(19)20;/h6H,2-5H2,1H3,(H,17,18)(H,19,20);/q;+1