[(3R)-2,3-dimethyl-5-oxidanylidene-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-2,3-dimethyl-5-oxidanylidene-pentyl] 4-methylbenzenesulfonate Openeye Name: [(3R)-2,3-dimethyl-5-oxo-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-2,3-dimethyl-5-oxopentyl] ester IUPAC Name: [(3R)-2,3-dimethyl-5-oxopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-5-keto-2,3-dimethyl-pentyl] 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(C)CC=O

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-11-4-6-14(7-5-11)19(16,17)18-10-13(3)12(2)8-9-15/h4-7,9,12-13H,8,10H2,1-3H3/t12-,13?/m1/s1