[4-(4-methylphenyl)sulfonyloxy-3-methylsulfonyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-methylphenyl)sulfonyloxy-3-methylsulfonyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [3-methylsulfonyl-4-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methylphenyl)sulfonyloxy-3-methylsulfonylphenyl] ester IUPAC Name: [4-(4-methylphenyl)sulfonyloxy-3-methylsulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-mesyl-4-tosyloxy-phenyl) ester Formula: C21H20O8S3 MolecularWeight: 496.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O8S3/c1-15-4-9-18(10-5-15)31(24,25)28-17-8-13-20(21(14-17)30(3,22)23)29-32(26,27)19-11-6-16(2)7-12-19/h4-14H,1-3H3