sodium 3-octadecanoyloxy-2-(2-sulfoethanoyloxy)propan-1-olate

Systemtic Name: sodium 3-octadecanoyloxy-2-(2-sulfoethanoyloxy)propan-1-olate Openeye Name: sodium 3-octadecanoyloxy-2-(2-sulfoacetyl)oxy-propan-1-olate CAS Name: sodium 3-(1-oxooctadecoxy)-2-(1-oxo-2-sulfoethoxy)-1-propanolate IUPAC Name: sodium 3-octadecanoyloxy-2-(2-sulfoacetyl)oxypropan-1-olate Traditional Name: sodium 3-stearoyloxy-2-(2-sulfoacetyl)oxy-propan-1-olate Formula: C23H43NaO8S MolecularWeight: 502.63749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C[O-])OC(=O)CS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C[O-])OC(=O)CS(=O)(=O)O.[Na+]

InChI

InChI=1S/C23H43O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)30-19-21(18-24)31-23(26)20-32(27,28)29;/h21H,2-20H2,1H3,(H,27,28,29);/q-1;+1