[3-(thian-3-yl)phenyl]methyl methanesulfonate

Systemtic Name: [3-(thian-3-yl)phenyl]methyl methanesulfonate Openeye Name: (3-tetrahydrothiopyran-3-ylphenyl)methyl methanesulfonate CAS Name: methanesulfonic acid [3-(3-thianyl)phenyl]methyl ester IUPAC Name: [3-(thian-3-yl)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid (3-tetrahydrothiopyran-3-ylbenzyl) ester Formula: C13H18O3S2 MolecularWeight: 286.41022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=CC=CC(=C1)C2CCCSC2

Isomeric SMILES

CS(=O)(=O)OCC1=CC=CC(=C1)C2CCCSC2

InChI

InChI=1S/C13H18O3S2/c1-18(14,15)16-9-11-4-2-5-12(8-11)13-6-3-7-17-10-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3