sodium; 1-octadecoxyoctadecane; 3-oxidanylpropane-1-sulfonate

Systemtic Name: sodium; 1-octadecoxyoctadecane; 3-oxidanylpropane-1-sulfonate Openeye Name: sodium; 3-hydroxypropane-1-sulfonate; 1-octadecoxyoctadecane CAS Name: sodium; 3-hydroxy-1-propanesulfonate; 1-octadecoxyoctadecane IUPAC Name: sodium; 3-hydroxypropane-1-sulfonate; 1-octadecoxyoctadecane Traditional Name: sodium; 3-hydroxypropane-1-sulfonate; 1-stearyloxyoctadecane Formula: C39H81NaO5S MolecularWeight: 685.11221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.C(CO)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.C(CO)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C36H74O.C3H8O4S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;4-2-1-3-8(5,6)7;/h3-36H2,1-2H3;4H,1-3H2,(H,5,6,7);/q;;+1/p-1