sodium [18-(2-methylpropoxy)-18-oxidanylidene-octadecan-9-yl] sulfate

Systemtic Name: sodium [18-(2-methylpropoxy)-18-oxidanylidene-octadecan-9-yl] sulfate Openeye Name: sodium (10-isobutoxy-1-octyl-10-oxo-decyl) sulfate CAS Name: sodium [18-(2-methylpropoxy)-18-oxooctadecan-9-yl] sulfate IUPAC Name: sodium [18-(2-methylpropoxy)-18-oxooctadecan-9-yl] sulfate Traditional Name: sodium (10-isobutoxy-10-keto-1-octyl-decyl) sulfate Formula: C22H43NaO6S MolecularWeight: 458.62799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H44O6S.Na/c1-4-5-6-7-10-13-16-21(28-29(24,25)26)17-14-11-8-9-12-15-18-22(23)27-19-20(2)3;/h20-21H,4-19H2,1-3H3,(H,24,25,26);/q;+1/p-1