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

Systemtic Name: disodium 2-oxidanyl-3-[3-(2-oxidanyl-3-sulfonatooxy-propoxy)phenoxy]propane-1-sulfonate Openeye Name: disodium 2-hydroxy-3-[3-(2-hydroxy-3-sulfonatooxy-propoxy)phenoxy]propane-1-sulfonate CAS Name: disodium 2-hydroxy-3-[3-(2-hydroxy-3-sulfonatooxypropoxy)phenoxy]-1-propanesulfonate IUPAC Name: disodium 2-hydroxy-3-[3-(2-hydroxy-3-sulfonatooxypropoxy)phenoxy]propane-1-sulfonate Traditional Name: disodium 2-hydroxy-3-[3-(2-hydroxy-3-sulfato-propoxy)phenoxy]propane-1-sulfonate Formula: C12H16Na2O11S2 MolecularWeight: 446.35838

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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.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OCC(CS(=O)(=O)[O-])O)OCC(COS(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C12H18O11S2.2Na/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);;/q;2*+1/p-2