[4-chloranyl-2-(phenylmethyl)phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: (2-benzyl-4-chloro-phenyl) 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid (2-benzyl-4-chloro-phenyl) ester Formula: C20H17ClO5S2 MolecularWeight: 436.92898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H17ClO5S2/c1-27(22,23)18-8-5-9-19(14-18)28(24,25)26-20-11-10-17(21)13-16(20)12-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3