sodium 2-(hexanoylamino)-3,5-bis(iodanyl)benzoate

Systemtic Name: sodium 2-(hexanoylamino)-3,5-bis(iodanyl)benzoate Openeye Name: sodium 2-(hexanoylamino)-3,5-diiodo-benzoate CAS Name: sodium 3,5-diiodo-2-(1-oxohexylamino)benzoate IUPAC Name: sodium 2-(hexanoylamino)-3,5-diiodobenzoate Traditional Name: sodium 2-(caproylamino)-3,5-diiodo-benzoate Formula: C13H14I2NNaO3 MolecularWeight: 509.05387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C(C=C1C(=O)[O-])I)I.[Na+]

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C(C=C1C(=O)[O-])I)I.[Na+]

InChI

InChI=1S/C13H15I2NO3.Na/c1-2-3-4-5-11(17)16-12-9(13(18)19)6-8(14)7-10(12)15;/h6-7H,2-5H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1