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

Systemtic Name: [(2R,3S)-3-chloranyl-2-oxidanyl-hexyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-3-chloro-2-hydroxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-chloro-2-hydroxyhexyl] ester IUPAC Name: [(2R,3S)-3-chloro-2-hydroxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-chloro-2-hydroxy-hexyl] ester Formula: C13H19ClO4S MolecularWeight: 306.80556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClO4S/c1-3-4-12(14)13(15)9-18-19(16,17)11-7-5-10(2)6-8-11/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13+/m0/s1