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sodium 2-octanoyloxyicosane-1-sulfonate

sodium 2-octanoyloxyicosane-1-sulfonate

Systemtic Name:sodium 2-octanoyloxyicosane-1-sulfonate
Openeye Name:sodium 2-octanoyloxyicosane-1-sulfonate
CAS Name:sodium 2-(1-oxooctoxy)-1-eicosanesulfonate
IUPAC Name:sodium 2-octanoyloxyicosane-1-sulfonate
Traditional Name:sodium 2-caprylyloxyeicosane-1-sulfonate
Formula: C28H55NaO5S
MolecularWeight: 526.78807
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])OC(=O)CCCCCCC.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])OC(=O)CCCCCCC.[Na+]


InChI

InChI=1S/C28H56O5S.Na/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22-24-27(26-34(30,31)32)33-28(29)25-23-20-8-6-4-2;/h27H,3-26H2,1-2H3,(H,30,31,32);/q;+1/p-1


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