ethyl (E)-2-ethoxy-3-phenylsulfanyl-prop-2-eneperoxoate

Systemtic Name: ethyl (E)-2-ethoxy-3-phenylsulfanyl-prop-2-eneperoxoate Openeye Name: ethyl (E)-2-ethoxy-3-phenylsulfanyl-prop-2-eneperoxoate CAS Name: (E)-2-ethoxy-3-(phenylthio)-2-propeneperoxoic acid ethyl ester IUPAC Name: ethyl (E)-2-ethoxy-3-phenylsulfanylprop-2-eneperoxoate Traditional Name: (E)-2-ethoxy-3-(phenylthio)peroxyacrylic acid ethyl ester Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CSC1=CC=CC=C1)C(=O)OOCC

Isomeric SMILES

CCO/C(=C/SC1=CC=CC=C1)/C(=O)OOCC

InChI

InChI=1S/C13H16O4S/c1-3-15-12(13(14)17-16-4-2)10-18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+