4-oxidanylpentan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 4-oxidanylpentan-2-yl 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-1-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-hydroxypentan-2-yl ester IUPAC Name: 4-hydroxypentan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-methyl-butyl) ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4S/c1-9-4-6-12(7-5-9)17(14,15)16-11(3)8-10(2)13/h4-7,10-11,13H,8H2,1-3H3