[(2S,3R)-2-methyl-3-oxidanyl-hex-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-2-methyl-3-oxidanyl-hex-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-hydroxy-2-methyl-hex-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-hydroxy-2-methylhex-5-enyl] ester IUPAC Name: [(2S,3R)-3-hydroxy-2-methylhex-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-hydroxy-2-methyl-hex-5-enyl] ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)[C@@H](CC=C)O

InChI

InChI=1S/C14H20O4S/c1-4-5-14(15)12(3)10-18-19(16,17)13-8-6-11(2)7-9-13/h4,6-9,12,14-15H,1,5,10H2,2-3H3/t12-,14+/m0/s1