sodium (1-decoxy-3-oxidanyl-propan-2-yl) sulfate

Systemtic Name: sodium (1-decoxy-3-oxidanyl-propan-2-yl) sulfate Openeye Name: sodium [1-(decoxymethyl)-2-hydroxy-ethyl] sulfate CAS Name: sodium (1-decoxy-3-hydroxypropan-2-yl) sulfate IUPAC Name: sodium (1-decoxy-3-hydroxypropan-2-yl) sulfate Traditional Name: sodium [1-(decoxymethyl)-2-hydroxy-ethyl] sulfate Formula: C13H27NaO6S MolecularWeight: 334.40465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(CO)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCOCC(CO)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H28O6S.Na/c1-2-3-4-5-6-7-8-9-10-18-12-13(11-14)19-20(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1