[3-[(4-cyanophenyl)methoxy]-2-methylsulfonyloxy-propyl] methanesulfonate

Systemtic Name: [3-[(4-cyanophenyl)methoxy]-2-methylsulfonyloxy-propyl] methanesulfonate Openeye Name: [3-[(4-cyanophenyl)methoxy]-2-methylsulfonyloxy-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[(4-cyanophenyl)methoxy]-2-methylsulfonyloxypropyl] ester IUPAC Name: [3-[(4-cyanophenyl)methoxy]-2-methylsulfonyloxypropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-cyanobenzyl)oxy-2-methylsulfonyloxy-propyl] ester Formula: C13H17NO7S2 MolecularWeight: 363.40658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(COCC1=CC=C(C=C1)C#N)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCC(COCC1=CC=C(C=C1)C#N)OS(=O)(=O)C

InChI

InChI=1S/C13H17NO7S2/c1-22(15,16)20-10-13(21-23(2,17)18)9-19-8-12-5-3-11(7-14)4-6-12/h3-6,13H,8-10H2,1-2H3