calcium 2-oxidanyloctadecane-1-sulfonate

Systemtic Name: calcium 2-oxidanyloctadecane-1-sulfonate Openeye Name: calcium 2-hydroxyoctadecane-1-sulfonate CAS Name: calcium 2-hydroxy-1-octadecanesulfonate IUPAC Name: calcium 2-hydroxyoctadecane-1-sulfonate Traditional Name: calcium 2-hydroxyoctadecane-1-sulfonate Formula: C36H74CaO8S2 MolecularWeight: 739.17596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O.CCCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O.CCCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C18H38O4S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-23(20,21)22;/h2*18-19H,2-17H2,1H3,(H,20,21,22);/q;;+2/p-2