3-(2,3-dibutylphenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(2,3-dibutylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(2,3-dibutylphenoxy)propane-1-sulfonic acid CAS Name: 3-(2,3-dibutylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(2,3-dibutylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(2,3-dibutylphenoxy)propane-1-sulfonic acid Formula: C17H28O4S MolecularWeight: 328.46682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)OCCCS(=O)(=O)O)CCCC

Isomeric SMILES

CCCCC1=C(C(=CC=C1)OCCCS(=O)(=O)O)CCCC

InChI

InChI=1S/C17H28O4S/c1-3-5-9-15-10-7-12-17(16(15)11-6-4-2)21-13-8-14-22(18,19)20/h7,10,12H,3-6,8-9,11,13-14H2,1-2H3,(H,18,19,20)