phenyl 3,3-dimethylbutane-1-sulfonate

Systemtic Name: phenyl 3,3-dimethylbutane-1-sulfonate Openeye Name: phenyl 3,3-dimethylbutane-1-sulfonate CAS Name: 3,3-dimethyl-1-butanesulfonic acid IUPAC Name: phenyl 3,3-dimethylbutane-1-sulfonate Traditional Name: 3,3-dimethylbutane-1-sulfonic acid phenyl ester Formula: C12H18O3S MolecularWeight: 242.33452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCS(=O)(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)CCS(=O)(=O)OC1=CC=CC=C1

InChI

InChI=1S/C12H18O3S/c1-12(2,3)9-10-16(13,14)15-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3