4-(3-iodanylpyridin-4-yl)-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-(3-iodanylpyridin-4-yl)-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-hydroxy-4-(3-iodo-4-pyridyl)cyclohexanecarboxylic acid CAS Name: 4-hydroxy-4-(3-iodo-4-pyridinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-hydroxy-4-(3-iodopyridin-4-yl)cyclohexane-1-carboxylic acid Traditional Name: 4-hydroxy-4-(3-iodo-4-pyridyl)cyclohexanecarboxylic acid Formula: C12H14INO3 MolecularWeight: 347.14893

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)(C2=C(C=NC=C2)I)O

Isomeric SMILES

C1CC(CCC1C(=O)O)(C2=C(C=NC=C2)I)O

InChI

InChI=1S/C12H14INO3/c13-10-7-14-6-3-9(10)12(17)4-1-8(2-5-12)11(15)16/h3,6-8,17H,1-2,4-5H2,(H,15,16)