[3-(3-chloranylpropoxy)-2-propyl-phenyl] butaneperoxoate

Systemtic Name: [3-(3-chloranylpropoxy)-2-propyl-phenyl] butaneperoxoate Openeye Name: [3-(3-chloropropoxy)-2-propyl-phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [3-(3-chloropropoxy)-2-propylphenyl] ester IUPAC Name: [3-(3-chloropropoxy)-2-propylphenyl] butaneperoxoate Traditional Name: peroxybutyric acid [3-(3-chloropropoxy)-2-propyl-phenyl] ester Formula: C16H23ClO4 MolecularWeight: 314.80442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OOC(=O)CCC)OCCCCl

Isomeric SMILES

CCCC1=C(C=CC=C1OOC(=O)CCC)OCCCCl

InChI

InChI=1S/C16H23ClO4/c1-3-7-13-14(19-12-6-11-17)9-5-10-15(13)20-21-16(18)8-4-2/h5,9-10H,3-4,6-8,11-12H2,1-2H3