[(2R,3S,4S)-4-methyl-1,2-bis(oxidanyl)hex-5-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4S)-4-methyl-1,2-bis(oxidanyl)hex-5-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-1-[(1R)-1,2-dihydroxyethyl]-2-methyl-but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4S)-1,2-dihydroxy-4-methylhex-5-en-3-yl] ester IUPAC Name: [(2R,3S,4S)-1,2-dihydroxy-4-methylhex-5-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-1-[(1R)-1,2-dihydroxyethyl]-2-methyl-but-3-enyl] ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)C=C)C(CO)O

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-4-11(3)14(13(16)9-15)19-20(17,18)12-7-5-10(2)6-8-12/h4-8,11,13-16H,1,9H2,2-3H3/t11-,13+,14-/m0/s1