[4-[2-(dioxidanyl)-3-oxidanyl-butyl]phenyl] ethanoate

Systemtic Name: [4-[2-(dioxidanyl)-3-oxidanyl-butyl]phenyl] ethanoate Openeye Name: [4-(2-hydroperoxy-3-hydroxy-butyl)phenyl] acetate CAS Name: acetic acid [4-(2-hydroperoxy-3-hydroxybutyl)phenyl] ester IUPAC Name: [4-(2-hydroperoxy-3-hydroxybutyl)phenyl] acetate Traditional Name: acetic acid [4-(2-hydroperoxy-3-hydroxy-butyl)phenyl] ester Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)OC(=O)C)OO)O

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)OC(=O)C)OO)O

InChI

InChI=1S/C12H16O5/c1-8(13)12(17-15)7-10-3-5-11(6-4-10)16-9(2)14/h3-6,8,12-13,15H,7H2,1-2H3