[(2R,4S)-1,4-bis(oxidanyl)-6-phenylsulfanyl-hexan-2-yl] methanesulfonate

Systemtic Name: [(2R,4S)-1,4-bis(oxidanyl)-6-phenylsulfanyl-hexan-2-yl] methanesulfonate Openeye Name: [(1R,3S)-3-hydroxy-1-(hydroxymethyl)-5-phenylsulfanyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid [(2R,4S)-1,4-dihydroxy-6-(phenylthio)hexan-2-yl] ester IUPAC Name: [(2R,4S)-1,4-dihydroxy-6-phenylsulfanylhexan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,3S)-3-hydroxy-1-methylol-5-(phenylthio)pentyl] ester Formula: C13H20O5S2 MolecularWeight: 320.4249

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CC(CCSC1=CC=CC=C1)O)CO

Isomeric SMILES

CS(=O)(=O)O[C@H](C[C@@H](CCSC1=CC=CC=C1)O)CO

InChI

InChI=1S/C13H20O5S2/c1-20(16,17)18-12(10-14)9-11(15)7-8-19-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12-/m1/s1