[3-(dioxidanyl)-3-methyl-but-1-ynyl]benzene

Systemtic Name: [3-(dioxidanyl)-3-methyl-but-1-ynyl]benzene Openeye Name: (3-hydroperoxy-3-methyl-but-1-ynyl)benzene CAS Name: (3-hydroperoxy-3-methylbut-1-ynyl)benzene IUPAC Name: (3-hydroperoxy-3-methylbut-1-ynyl)benzene Traditional Name: (3-hydroperoxy-3-methyl-but-1-ynyl)benzene Formula: C11H12O2 MolecularWeight: 176.21178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=CC=C1)OO

Isomeric SMILES

CC(C)(C#CC1=CC=CC=C1)OO

InChI

InChI=1S/C11H12O2/c1-11(2,13-12)9-8-10-6-4-3-5-7-10/h3-7,12H,1-2H3