[3-(dioxidanylmethyl)-4-methyl-phenyl] 3-iodanylpropanoate

Systemtic Name: [3-(dioxidanylmethyl)-4-methyl-phenyl] 3-iodanylpropanoate Openeye Name: [3-(hydroperoxymethyl)-4-methyl-phenyl] 3-iodopropanoate CAS Name: 3-iodopropanoic acid [3-(hydroperoxymethyl)-4-methylphenyl] ester IUPAC Name: [3-(hydroperoxymethyl)-4-methylphenyl] 3-iodopropanoate Traditional Name: 3-iodopropionic acid [3-(hydroperoxymethyl)-4-methyl-phenyl] ester Formula: C11H13IO4 MolecularWeight: 336.12299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCI)COO

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCI)COO

InChI

InChI=1S/C11H13IO4/c1-8-2-3-10(6-9(8)7-15-14)16-11(13)4-5-12/h2-3,6,14H,4-5,7H2,1H3