sodium (1-butoxy-1-oxidanylidene-octadecan-9-yl) sulfate

Systemtic Name: sodium (1-butoxy-1-oxidanylidene-octadecan-9-yl) sulfate Openeye Name: sodium 1-(8-butoxy-8-oxo-octyl)decyl sulfate CAS Name: sodium (1-butoxy-1-oxooctadecan-9-yl) sulfate IUPAC Name: sodium (1-butoxy-1-oxooctadecan-9-yl) sulfate Traditional Name: sodium 1-(8-butoxy-8-keto-octyl)decyl sulfate Formula: C22H43NaO6S MolecularWeight: 458.62799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H44O6S.Na/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2;/h21H,3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1