[3-methyl-1,1-bis(oxidanyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methyl-1,1-bis(oxidanyl)butyl] 4-methylbenzenesulfonate Openeye Name: (1,1-dihydroxy-3-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1-dihydroxy-3-methylbutyl) ester IUPAC Name: (1,1-dihydroxy-3-methylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1-dihydroxy-3-methyl-butyl) ester Formula: C12H18O5S MolecularWeight: 274.33332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O5S/c1-9(2)8-12(13,14)17-18(15,16)11-6-4-10(3)5-7-11/h4-7,9,13-14H,8H2,1-3H3