[4-(hydroxymethyl)-2,6-dimethyl-phenyl] butaneperoxoate

Systemtic Name: [4-(hydroxymethyl)-2,6-dimethyl-phenyl] butaneperoxoate Openeye Name: [4-(hydroxymethyl)-2,6-dimethyl-phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-(hydroxymethyl)-2,6-dimethylphenyl] ester IUPAC Name: [4-(hydroxymethyl)-2,6-dimethylphenyl] butaneperoxoate Traditional Name: peroxybutyric acid (2,6-dimethyl-4-methylol-phenyl) ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=C(C=C(C=C1C)CO)C

Isomeric SMILES

CCCC(=O)OOC1=C(C=C(C=C1C)CO)C

InChI

InChI=1S/C13H18O4/c1-4-5-12(15)16-17-13-9(2)6-11(8-14)7-10(13)3/h6-7,14H,4-5,8H2,1-3H3