[(2S,3S)-3-[3-(dioxidanyl)-3-(4-methylphenyl)butyl]oxiran-2-yl]methyl ethanoate

Systemtic Name: [(2S,3S)-3-[3-(dioxidanyl)-3-(4-methylphenyl)butyl]oxiran-2-yl]methyl ethanoate Openeye Name: [(2S,3S)-3-[3-hydroperoxy-3-(p-tolyl)butyl]oxiran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S)-3-[3-hydroperoxy-3-(4-methylphenyl)butyl]-2-oxiranyl]methyl ester IUPAC Name: [(2S,3S)-3-[3-hydroperoxy-3-(4-methylphenyl)butyl]oxiran-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S)-3-[3-hydroperoxy-3-(p-tolyl)butyl]oxiran-2-yl]methyl ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(CCC2C(O2)COC(=O)C)OO

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(CC[C@H]2[C@@H](O2)COC(=O)C)OO

InChI

InChI=1S/C16H22O5/c1-11-4-6-13(7-5-11)16(3,21-18)9-8-14-15(20-14)10-19-12(2)17/h4-7,14-15,18H,8-10H2,1-3H3/t14-,15-,16?/m0/s1