2,2,6,6-tetramethylheptan-4-yl methanesulfonate

Systemtic Name: 2,2,6,6-tetramethylheptan-4-yl methanesulfonate Openeye Name: [1-(2,2-dimethylpropyl)-3,3-dimethyl-butyl] methanesulfonate CAS Name: methanesulfonic acid 2,2,6,6-tetramethylheptan-4-yl ester IUPAC Name: 2,2,6,6-tetramethylheptan-4-yl methanesulfonate Traditional Name: methanesulfonic acid (3,3-dimethyl-1-neopentyl-butyl) ester Formula: C12H26O3S MolecularWeight: 250.39804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(CC(C)(C)C)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(CC(C)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C12H26O3S/c1-11(2,3)8-10(9-12(4,5)6)15-16(7,13)14/h10H,8-9H2,1-7H3