(E)-1-(4-butan-2-ylphenyl)-3-(dioxidanyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-butan-2-ylphenyl)-3-(dioxidanyl)prop-2-en-1-one Openeye Name: (E)-3-hydroperoxy-1-(4-sec-butylphenyl)prop-2-en-1-one CAS Name: (E)-1-(4-butan-2-ylphenyl)-3-hydroperoxy-2-propen-1-one IUPAC Name: (E)-1-(4-butan-2-ylphenyl)-3-hydroperoxyprop-2-en-1-one Traditional Name: (E)-3-hydroperoxy-1-(4-sec-butylphenyl)prop-2-en-1-one Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)C=COO

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)/C=C/OO

InChI

InChI=1S/C13H16O3/c1-3-10(2)11-4-6-12(7-5-11)13(14)8-9-16-15/h4-10,15H,3H2,1-2H3/b9-8+