4-[dioxidanyl-(4-prop-2-enylphenyl)methyl]benzenecarbonitrile

Systemtic Name: 4-[dioxidanyl-(4-prop-2-enylphenyl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-allylphenyl)-hydroperoxy-methyl]benzonitrile CAS Name: 4-[hydroperoxy-(4-prop-2-enylphenyl)methyl]benzonitrile IUPAC Name: 4-[hydroperoxy-(4-prop-2-enylphenyl)methyl]benzonitrile Traditional Name: 4-[(4-allylphenyl)-hydroperoxy-methyl]benzonitrile Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)OO

Isomeric SMILES

C=CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)OO

InChI

InChI=1S/C17H15NO2/c1-2-3-13-4-8-15(9-5-13)17(20-19)16-10-6-14(12-18)7-11-16/h2,4-11,17,19H,1,3H2