(4-tert-butyl-2-methyl-phenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H22O5S2 MolecularWeight: 382.49428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O5S2/c1-13-12-14(18(2,3)4)6-11-17(13)23-25(21,22)16-9-7-15(8-10-16)24(5,19)20/h6-12H,1-5H3