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

Systemtic Name: sodium 3-(hexanoylamino)-2,4,6-tris(iodanyl)benzoate Openeye Name: sodium 3-(hexanoylamino)-2,4,6-triiodo-benzoate CAS Name: sodium 2,4,6-triiodo-3-(1-oxohexylamino)benzoate IUPAC Name: sodium 3-(hexanoylamino)-2,4,6-triiodobenzoate Traditional Name: sodium 3-(caproylamino)-2,4,6-triiodo-benzoate Formula: C13H13I3NNaO3 MolecularWeight: 634.9504

Click to see the large picture

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/p-1