1-(4-methylperoxysulfanylphenyl)-2-phenyl-butane-1,3-dione

Systemtic Name: 1-(4-methylperoxysulfanylphenyl)-2-phenyl-butane-1,3-dione Openeye Name: 1-(4-methylperoxysulfanylphenyl)-2-phenyl-butane-1,3-dione CAS Name: 4-(1,3-dioxo-2-phenylbutyl)benzenesulfenic acid methoxy ester IUPAC Name: 1-(4-methylperoxysulfanylphenyl)-2-phenylbutane-1,3-dione Traditional Name: 1-[4-(methylperoxythio)phenyl]-2-phenyl-butane-1,3-dione Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SOOC

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SOOC

InChI

InChI=1S/C17H16O4S/c1-12(18)16(13-6-4-3-5-7-13)17(19)14-8-10-15(11-9-14)22-21-20-2/h3-11,16H,1-2H3