(4-pentylphenyl) 3-methylsulfonylbenzenesulfonate

Systemtic Name: (4-pentylphenyl) 3-methylsulfonylbenzenesulfonate Openeye Name: (4-pentylphenyl) 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid (4-amylphenyl) ester Formula: C18H22O5S2 MolecularWeight: 382.49428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C18H22O5S2/c1-3-4-5-7-15-10-12-16(13-11-15)23-25(21,22)18-9-6-8-17(14-18)24(2,19)20/h6,8-14H,3-5,7H2,1-2H3