2-[[3,5-bis(iodanyl)-4-propoxy-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(iodanyl)-4-propoxy-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[(3,5-diiodo-4-propoxy-benzoyl)amino]acetic acid CAS Name: 2-[[(3,5-diiodo-4-propoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3,5-diiodo-4-propoxybenzoyl)amino]acetic acid Traditional Name: 2-[(3,5-diiodo-4-propoxy-benzoyl)amino]acetic acid Formula: C12H13I2NO4 MolecularWeight: 489.04486

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C(=O)NCC(=O)O)I

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C(=O)NCC(=O)O)I

InChI

InChI=1S/C12H13I2NO4/c1-2-3-19-11-8(13)4-7(5-9(11)14)12(18)15-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,15,18)(H,16,17)