2-oxidanyl-3-[3-(2-oxidanyl-3-sulfooxy-propoxy)phenoxy]propane-1-sulfonic acid

Systemtic Name: 2-oxidanyl-3-[3-(2-oxidanyl-3-sulfooxy-propoxy)phenoxy]propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfooxy-propoxy)phenoxy]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfooxypropoxy)phenoxy]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfooxypropoxy)phenoxy]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfoxy-propoxy)phenoxy]propane-1-sulfonic acid Formula: C12H18O11S2 MolecularWeight: 402.39472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(CS(=O)(=O)O)O)OCC(COS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CS(=O)(=O)O)O)OCC(COS(=O)(=O)O)O

InChI

InChI=1S/C12H18O11S2/c13-9(7-23-25(18,19)20)5-21-11-2-1-3-12(4-11)22-6-10(14)8-24(15,16)17/h1-4,9-10,13-14H,5-8H2,(H,15,16,17)(H,18,19,20)