[2-(1,3-dithian-2-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1,3-dithian-2-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,3-dithian-2-yl)-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-dithian-2-yl)-2-hydroxyethyl] ester IUPAC Name: [2-(1,3-dithian-2-yl)-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,3-dithian-2-yl)-2-hydroxy-ethyl] ester Formula: C13H18O4S3 MolecularWeight: 334.47462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2SCCCS2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2SCCCS2)O

InChI

InChI=1S/C13H18O4S3/c1-10-3-5-11(6-4-10)20(15,16)17-9-12(14)13-18-7-2-8-19-13/h3-6,12-14H,2,7-9H2,1H3