2,4,4-trimethylpentyl 3,5-bis(iodanyl)-4-oxidanyl-benzoate

Systemtic Name: 2,4,4-trimethylpentyl 3,5-bis(iodanyl)-4-oxidanyl-benzoate Openeye Name: 2,4,4-trimethylpentyl 4-hydroxy-3,5-diiodo-benzoate CAS Name: 4-hydroxy-3,5-diiodobenzoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 4-hydroxy-3,5-diiodobenzoate Traditional Name: 4-hydroxy-3,5-diiodo-benzoic acid 2,4,4-trimethylpentyl ester Formula: C15H20I2O3 MolecularWeight: 502.12644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20I2O3/c1-9(7-15(2,3)4)8-20-14(19)10-5-11(16)13(18)12(17)6-10/h5-6,9,18H,7-8H2,1-4H3