1-oxidanylpropan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-oxidanylpropan-2-yl 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-1-methyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-hydroxypropan-2-yl ester IUPAC Name: 1-hydroxypropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-1-methyl-ethyl) ester Formula: C10H14O4S MolecularWeight: 230.28076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4S/c1-8-3-5-10(6-4-8)15(12,13)14-9(2)7-11/h3-6,9,11H,7H2,1-2H3