[(2S,3R)-3-oxidanyl-2-phenylsulfanyl-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-oxidanyl-2-phenylsulfanyl-hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-hydroxy-2-phenylsulfanyl-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-hydroxy-2-(phenylthio)hexyl] ester IUPAC Name: [(2S,3R)-3-hydroxy-2-phenylsulfanylhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-hydroxy-2-(phenylthio)hexyl] ester Formula: C19H24O4S2 MolecularWeight: 380.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)SC2=CC=CC=C2)O

Isomeric SMILES

CCC[C@H]([C@H](COS(=O)(=O)C1=CC=C(C=C1)C)SC2=CC=CC=C2)O

InChI

InChI=1S/C19H24O4S2/c1-3-7-18(20)19(24-16-8-5-4-6-9-16)14-23-25(21,22)17-12-10-15(2)11-13-17/h4-6,8-13,18-20H,3,7,14H2,1-2H3/t18-,19+/m1/s1