(phenylmethyl) 3-oxidanylidenehex-5-eneperoxoate

Systemtic Name: (phenylmethyl) 3-oxidanylidenehex-5-eneperoxoate Openeye Name: benzyl 3-oxohex-5-eneperoxoate CAS Name: 3-oxo-5-hexeneperoxoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-oxohex-5-eneperoxoate Traditional Name: 3-ketohex-5-eneperoxoic acid benzyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)CC(=O)OOCC1=CC=CC=C1

Isomeric SMILES

C=CCC(=O)CC(=O)OOCC1=CC=CC=C1

InChI

InChI=1S/C13H14O4/c1-2-6-12(14)9-13(15)17-16-10-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2