3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]octanoic acid

Systemtic Name: 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]octanoic acid Openeye Name: 3-(4-hydroxy-3,5-diiodo-phenyl)octanoic acid CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)octanoic acid IUPAC Name: 3-(4-hydroxy-3,5-diiodophenyl)octanoic acid Traditional Name: 3-(4-hydroxy-3,5-diiodo-phenyl)caprylic acid Formula: C14H18I2O3 MolecularWeight: 488.09986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=CC(=C(C(=C1)I)O)I

Isomeric SMILES

CCCCCC(CC(=O)O)C1=CC(=C(C(=C1)I)O)I

InChI

InChI=1S/C14H18I2O3/c1-2-3-4-5-9(8-13(17)18)10-6-11(15)14(19)12(16)7-10/h6-7,9,19H,2-5,8H2,1H3,(H,17,18)