methyl 3-methyl-3-oxidanyl-1-phenyl-butane-1-sulfonate

Systemtic Name: methyl 3-methyl-3-oxidanyl-1-phenyl-butane-1-sulfonate Openeye Name: methyl 3-hydroxy-3-methyl-1-phenyl-butane-1-sulfonate CAS Name: 3-hydroxy-3-methyl-1-phenyl-1-butanesulfonic acid IUPAC Name: methyl 3-hydroxy-3-methyl-1-phenylbutane-1-sulfonate Traditional Name: 3-hydroxy-3-methyl-1-phenyl-butane-1-sulfonic acid methyl ester Formula: C12H18O4S MolecularWeight: 258.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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