[(2S,3R,4S)-2,4-dimethyl-3,5-bis(oxidanyl)pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R,4S)-2,4-dimethyl-3,5-bis(oxidanyl)pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethylpentyl] ester IUPAC Name: [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethyl-pentyl] ester Formula: C14H22O5S MolecularWeight: 302.38648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O5S/c1-10-4-6-13(7-5-10)20(17,18)19-9-12(3)14(16)11(2)8-15/h4-7,11-12,14-16H,8-9H2,1-3H3/t11-,12-,14+/m0/s1