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

Systemtic Name: [(2S)-2-methyl-2-oxidanyl-hex-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-2-methyl-hex-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-methylhex-5-enyl] ester IUPAC Name: [(2S)-2-hydroxy-2-methylhex-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-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)(CCC=C)O

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-5-10-14(3,15)11-18-19(16,17)13-8-6-12(2)7-9-13/h4,6-9,15H,1,5,10-11H2,2-3H3/t14-/m0/s1