2-oxidanyl-3-[3-(2-oxidanyl-3-sulfonatooxy-propoxy)phenoxy]propane-1-sulfonate

Systemtic Name: 2-oxidanyl-3-[3-(2-oxidanyl-3-sulfonatooxy-propoxy)phenoxy]propane-1-sulfonate Openeye Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfonatooxy-propoxy)phenoxy]propane-1-sulfonate CAS Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfonatooxypropoxy)phenoxy]-1-propanesulfonate IUPAC Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfonatooxypropoxy)phenoxy]propane-1-sulfonate Traditional Name: 2-hydroxy-3-[3-(2-hydroxy-3-sulfato-propoxy)phenoxy]propane-1-sulfonate Formula: C12H16O11S2-2 MolecularWeight: 400.37884

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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)/p-2