disodium 3-[3-(4-oxidanylphenoxy)sulfonylpropoxy]propane-1-sulfonic acid

Systemtic Name: disodium 3-[3-(4-oxidanylphenoxy)sulfonylpropoxy]propane-1-sulfonic acid Openeye Name: disodium 3-[3-(4-hydroxyphenoxy)sulfonylpropoxy]propane-1-sulfonic acid CAS Name: disodium 3-[3-(4-hydroxyphenoxy)sulfonylpropoxy]-1-propanesulfonic acid IUPAC Name: disodium 3-[3-(4-hydroxyphenoxy)sulfonylpropoxy]propane-1-sulfonic acid Traditional Name: disodium 3-[3-(4-hydroxyphenoxy)sulfonylpropoxy]propane-1-sulfonic acid Formula: C12H18Na2O8S2+2 MolecularWeight: 400.37606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OS(=O)(=O)CCCOCCCS(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1O)OS(=O)(=O)CCCOCCCS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C12H18O8S2.2Na/c13-11-3-5-12(6-4-11)20-22(17,18)10-2-8-19-7-1-9-21(14,15)16;;/h3-6,13H,1-2,7-10H2,(H,14,15,16);;/q;2*+1