(phenylmethyl) 4-iodanyl-6-oxidanyl-hexanoate

Systemtic Name: (phenylmethyl) 4-iodanyl-6-oxidanyl-hexanoate Openeye Name: benzyl 6-hydroxy-4-iodo-hexanoate CAS Name: 6-hydroxy-4-iodohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-hydroxy-4-iodohexanoate Traditional Name: 6-hydroxy-4-iodo-hexanoic acid benzyl ester Formula: C13H17IO3 MolecularWeight: 348.17675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17IO3/c14-12(8-9-15)6-7-13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2