1-(2-sulfanylphenoxy)propane-1-sulfonic acid

Systemtic Name: 1-(2-sulfanylphenoxy)propane-1-sulfonic acid Openeye Name: 1-(2-sulfanylphenoxy)propane-1-sulfonic acid CAS Name: 1-(2-mercaptophenoxy)-1-propanesulfonic acid IUPAC Name: 1-(2-sulfanylphenoxy)propane-1-sulfonic acid Traditional Name: 1-(2-mercaptophenoxy)propane-1-sulfonic acid Formula: C9H12O4S2 MolecularWeight: 248.31918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC=CC=C1S)S(=O)(=O)O

Isomeric SMILES

CCC(OC1=CC=CC=C1S)S(=O)(=O)O

InChI

InChI=1S/C9H12O4S2/c1-2-9(15(10,11)12)13-7-5-3-4-6-8(7)14/h3-6,9,14H,2H2,1H3,(H,10,11,12)