ethyl 3,3-dimethyl-2H-1-benzofuran-4-sulfonate

Systemtic Name: ethyl 3,3-dimethyl-2H-1-benzofuran-4-sulfonate Openeye Name: ethyl 3,3-dimethyl-2H-benzofuran-4-sulfonate CAS Name: 3,3-dimethyl-2H-benzofuran-4-sulfonic acid ethyl ester IUPAC Name: ethyl 3,3-dimethyl-2H-1-benzofuran-4-sulfonate Traditional Name: 3,3-dimethylcoumaran-4-sulfonic acid ethyl ester Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=CC2=C1C(CO2)(C)C

Isomeric SMILES

CCOS(=O)(=O)C1=CC=CC2=C1C(CO2)(C)C

InChI

InChI=1S/C12H16O4S/c1-4-16-17(13,14)10-7-5-6-9-11(10)12(2,3)8-15-9/h5-7H,4,8H2,1-3H3