trisodium 3-[3-(3-sulfinatooxypropoxy)-5-(3-sulfonatopropoxy)phenoxy]propane-1-sulfonate

Systemtic Name: trisodium 3-[3-(3-sulfinatooxypropoxy)-5-(3-sulfonatopropoxy)phenoxy]propane-1-sulfonate Openeye Name: trisodium 3-[3-(3-sulfinatooxypropoxy)-5-(3-sulfonatopropoxy)phenoxy]propane-1-sulfonate CAS Name: trisodium 3-[3-(3-sulfinatooxypropoxy)-5-(3-sulfonatopropoxy)phenoxy]-1-propanesulfonate IUPAC Name: trisodium 3-[3-(3-sulfinatooxypropoxy)-5-(3-sulfonatopropoxy)phenoxy]propane-1-sulfonate Traditional Name: trisodium 3-[3-(3-sulfitopropoxy)-5-(3-sulfonatopropoxy)phenoxy]propane-1-sulfonate Formula: C15H21Na3O12S3 MolecularWeight: 558.48435

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1OCCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-])OCCCOS(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1OCCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-])OCCCOS(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C15H24O12S3.3Na/c16-28(17)27-7-1-4-24-13-10-14(25-5-2-8-29(18,19)20)12-15(11-13)26-6-3-9-30(21,22)23;;;/h10-12H,1-9H2,(H,16,17)(H,18,19,20)(H,21,22,23);;;/q;3*+1/p-3