methyl 6-[[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[(2-hydroxy-3,5-diiodo-benzoyl)amino]hexanoate CAS Name: 6-[[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-hydroxy-3,5-diiodobenzoyl)amino]hexanoate Traditional Name: 6-[(2-hydroxy-3,5-diiodo-benzoyl)amino]hexanoic acid methyl ester Formula: C14H17I2NO4 MolecularWeight: 517.09802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC(=CC(=C1O)I)I

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC(=CC(=C1O)I)I

InChI

InChI=1S/C14H17I2NO4/c1-21-12(18)5-3-2-4-6-17-14(20)10-7-9(15)8-11(16)13(10)19/h7-8,19H,2-6H2,1H3,(H,17,20)