sodium (1-oxidanylidene-1-propan-2-yloxy-octadecan-9-yl) sulfate

Systemtic Name: sodium (1-oxidanylidene-1-propan-2-yloxy-octadecan-9-yl) sulfate Openeye Name: sodium 1-(8-isopropoxy-8-oxo-octyl)decyl sulfate CAS Name: sodium (1-oxo-1-propan-2-yloxyoctadecan-9-yl) sulfate IUPAC Name: sodium (1-oxo-1-propan-2-yloxyoctadecan-9-yl) sulfate Traditional Name: sodium 1-(8-isopropoxy-8-keto-octyl)decyl sulfate Formula: C21H41NaO6S MolecularWeight: 444.60141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42O6S.Na/c1-4-5-6-7-8-10-13-16-20(27-28(23,24)25)17-14-11-9-12-15-18-21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1/p-1