2-[[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(4-hydroxy-3,5-diiodo-phenyl)methyl]cyclohexanecarboxylic acid CAS Name: 2-[(4-hydroxy-3,5-diiodophenyl)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid Traditional Name: 2-(4-hydroxy-3,5-diiodo-benzyl)cyclohexanecarboxylic acid Formula: C14H16I2O3 MolecularWeight: 486.08398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CC2=CC(=C(C(=C2)I)O)I)C(=O)O

Isomeric SMILES

C1CCC(C(C1)CC2=CC(=C(C(=C2)I)O)I)C(=O)O

InChI

InChI=1S/C14H16I2O3/c15-11-6-8(7-12(16)13(11)17)5-9-3-1-2-4-10(9)14(18)19/h6-7,9-10,17H,1-5H2,(H,18,19)