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

Systemtic Name: [(3S,4R)-4-bromanyl-3-oxidanyl-hexyl] 4-methylbenzenesulfonate Openeye Name: [(3S,4R)-4-bromo-3-hydroxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4R)-4-bromo-3-hydroxyhexyl] ester IUPAC Name: [(3S,4R)-4-bromo-3-hydroxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4R)-4-bromo-3-hydroxy-hexyl] ester Formula: C13H19BrO4S MolecularWeight: 351.25656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCOS(=O)(=O)C1=CC=C(C=C1)C)O)Br

Isomeric SMILES

CC[C@H]([C@H](CCOS(=O)(=O)C1=CC=C(C=C1)C)O)Br

InChI

InChI=1S/C13H19BrO4S/c1-3-12(14)13(15)8-9-18-19(16,17)11-6-4-10(2)5-7-11/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13+/m1/s1