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

Systemtic Name: [(2R,3S)-2,4-dimethyl-3-oxidanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-3-hydroxy-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-hydroxy-2,4-dimethylpentyl] ester IUPAC Name: [(2R,3S)-3-hydroxy-2,4-dimethylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-hydroxy-2,4-dimethyl-pentyl] ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-10(2)14(15)12(4)9-18-19(16,17)13-7-5-11(3)6-8-13/h5-8,10,12,14-15H,9H2,1-4H3/t12-,14+/m1/s1