(4-chlorophenyl) 2-ethyl-3-methyl-3-oxidanyl-pentaneperoxoate

Systemtic Name: (4-chlorophenyl) 2-ethyl-3-methyl-3-oxidanyl-pentaneperoxoate Openeye Name: (4-chlorophenyl) 2-ethyl-3-hydroxy-3-methyl-pentaneperoxoate CAS Name: 2-ethyl-3-hydroxy-3-methylpentaneperoxoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-ethyl-3-hydroxy-3-methylpentaneperoxoate Traditional Name: 2-ethyl-3-hydroxy-3-methyl-peroxyvaleric acid (4-chlorophenyl) ester Formula: C14H19ClO4 MolecularWeight: 286.75126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OOC1=CC=C(C=C1)Cl)C(C)(CC)O

Isomeric SMILES

CCC(C(=O)OOC1=CC=C(C=C1)Cl)C(C)(CC)O

InChI

InChI=1S/C14H19ClO4/c1-4-12(14(3,17)5-2)13(16)19-18-11-8-6-10(15)7-9-11/h6-9,12,17H,4-5H2,1-3H3