4-[[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]methyl]benzoic acid Openeye Name: 4-[(3,5-diiodo-4-oxo-1-pyridyl)methyl]benzoic acid CAS Name: 4-[(3,5-diiodo-4-oxo-1-pyridinyl)methyl]benzoic acid IUPAC Name: 4-[(3,5-diiodo-4-oxopyridin-1-yl)methyl]benzoic acid Traditional Name: 4-[(3,5-diiodo-4-keto-1-pyridyl)methyl]benzoic acid Formula: C13H9I2NO3 MolecularWeight: 481.0244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=O)C(=C2)I)I)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=O)C(=C2)I)I)C(=O)O

InChI

InChI=1S/C13H9I2NO3/c14-10-6-16(7-11(15)12(10)17)5-8-1-3-9(4-2-8)13(18)19/h1-4,6-7H,5H2,(H,18,19)