methyl 3-(2,3-dimethylphenoxy)propane-1-sulfonate

Systemtic Name: methyl 3-(2,3-dimethylphenoxy)propane-1-sulfonate Openeye Name: methyl 3-(2,3-dimethylphenoxy)propane-1-sulfonate CAS Name: 3-(2,3-dimethylphenoxy)-1-propanesulfonic acid IUPAC Name: methyl 3-(2,3-dimethylphenoxy)propane-1-sulfonate Traditional Name: 3-(2,3-dimethylphenoxy)propane-1-sulfonic acid methyl ester Formula: C12H18O4S MolecularWeight: 258.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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