tert-butyl (E)-3-phenylprop-2-eneperoxoate

Systemtic Name: tert-butyl (E)-3-phenylprop-2-eneperoxoate Openeye Name: tert-butyl (E)-3-phenylprop-2-eneperoxoate CAS Name: (E)-3-phenyl-2-propeneperoxoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-phenylprop-2-eneperoxoate Traditional Name: (E)-3-phenylperoxyacrylic acid tert-butyl ester Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OOC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C13H16O3/c1-13(2,3)16-15-12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+