methyl 3-(2,3,5-trimethylphenoxy)propane-1-sulfonate

Systemtic Name: methyl 3-(2,3,5-trimethylphenoxy)propane-1-sulfonate Openeye Name: methyl 3-(2,3,5-trimethylphenoxy)propane-1-sulfonate CAS Name: 3-(2,3,5-trimethylphenoxy)-1-propanesulfonic acid IUPAC Name: methyl 3-(2,3,5-trimethylphenoxy)propane-1-sulfonate Traditional Name: 3-(2,3,5-trimethylphenoxy)propane-1-sulfonic acid methyl ester Formula: C13H20O4S MolecularWeight: 272.3605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S/c1-10-8-11(2)12(3)13(9-10)17-6-5-7-18(14,15)16-4/h8-9H,5-7H2,1-4H3