2-(hexanoylamino)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-(hexanoylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(hexanoylamino)-3,5-diiodo-benzoic acid CAS Name: 3,5-diiodo-2-(1-oxohexylamino)benzoic acid IUPAC Name: 2-(hexanoylamino)-3,5-diiodobenzoic acid Traditional Name: 2-(caproylamino)-3,5-diiodo-benzoic acid Formula: C13H15I2NO3 MolecularWeight: 487.07204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C(C=C1C(=O)O)I)I

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C(C=C1C(=O)O)I)I

InChI

InChI=1S/C13H15I2NO3/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)