[2-ethanoyl-3-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethanoyl-3-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-acetyl-3-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-acetyl-3-(4-methylphenyl)sulfonyloxyphenyl] ester IUPAC Name: [2-acetyl-3-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-3-tosyloxy-phenyl) ester Formula: C22H20O7S2 MolecularWeight: 460.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)C

InChI

InChI=1S/C22H20O7S2/c1-15-7-11-18(12-8-15)30(24,25)28-20-5-4-6-21(22(20)17(3)23)29-31(26,27)19-13-9-16(2)10-14-19/h4-14H,1-3H3