[1-decoxy-3-[2-(3-decoxy-2-sulfooxy-propoxy)ethoxy]propan-2-yl] hydrogen sulfate; sodium

Systemtic Name: [1-decoxy-3-[2-(3-decoxy-2-sulfooxy-propoxy)ethoxy]propan-2-yl] hydrogen sulfate; sodium Openeye Name: [1-(decoxymethyl)-2-[2-(3-decoxy-2-sulfooxy-propoxy)ethoxy]ethyl] hydrogen sulfate; sodium CAS Name: sodium; sulfuric acid [1-decoxy-3-[2-(3-decoxy-2-sulfooxypropoxy)ethoxy]propan-2-yl] ester IUPAC Name: [1-decoxy-3-[2-(3-decoxy-2-sulfooxypropoxy)ethoxy]propan-2-yl] hydrogen sulfate; sodium Traditional Name: sodium; sulfuric acid [1-(decoxymethyl)-2-[2-(3-decoxy-2-sulfoxy-propoxy)ethoxy]ethyl] ester Formula: C28H58NaO12S2 MolecularWeight: 673.87269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(COCCOCC(COCCCCCCCCCC)OS(=O)(=O)O)OS(=O)(=O)O.[Na]

Isomeric SMILES

CCCCCCCCCCOCC(COCCOCC(COCCCCCCCCCC)OS(=O)(=O)O)OS(=O)(=O)O.[Na]

InChI

InChI=1S/C28H58O12S2.Na/c1-3-5-7-9-11-13-15-17-19-35-23-27(39-41(29,30)31)25-37-21-22-38-26-28(40-42(32,33)34)24-36-20-18-16-14-12-10-8-6-4-2;/h27-28H,3-26H2,1-2H3,(H,29,30,31)(H,32,33,34);