O-methyl 4-[2,3-bis(oxidanyl)propyl]-3-methylsulfonyl-benzenecarbothioate

Systemtic Name: O-methyl 4-[2,3-bis(oxidanyl)propyl]-3-methylsulfonyl-benzenecarbothioate Openeye Name: O-methyl 4-(2,3-dihydroxypropyl)-3-methylsulfonyl-benzenecarbothioate CAS Name: 4-(2,3-dihydroxypropyl)-3-methylsulfonylbenzenecarbothioic acid O-methyl ester IUPAC Name: O-methyl 4-(2,3-dihydroxypropyl)-3-methylsulfonylbenzenecarbothioate Traditional Name: 4-glyceryl-3-mesyl-thiobenzoic acid O-methyl ester Formula: C12H16O5S2 MolecularWeight: 304.38244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=S)C1=CC(=C(C=C1)CC(CO)O)S(=O)(=O)C

Isomeric SMILES

COC(=S)C1=CC(=C(C=C1)CC(CO)O)S(=O)(=O)C

InChI

InChI=1S/C12H16O5S2/c1-17-12(18)9-4-3-8(5-10(14)7-13)11(6-9)19(2,15)16/h3-4,6,10,13-14H,5,7H2,1-2H3