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

Systemtic Name: heptan-2-yl 3,5-bis(iodanyl)-4-oxidanyl-benzoate Openeye Name: 1-methylhexyl 4-hydroxy-3,5-diiodo-benzoate CAS Name: 4-hydroxy-3,5-diiodobenzoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 4-hydroxy-3,5-diiodobenzoate Traditional Name: 4-hydroxy-3,5-diiodo-benzoic acid 1-methylhexyl ester Formula: C14H18I2O3 MolecularWeight: 488.09986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18I2O3/c1-3-4-5-6-9(2)19-14(18)10-7-11(15)13(17)12(16)8-10/h7-9,17H,3-6H2,1-2H3