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

Systemtic Name: sodium (1-oxidanyl-1-oxidanylidene-octadecan-9-yl) sulfate Openeye Name: sodium 1-(8-hydroxy-8-oxo-octyl)decyl sulfate CAS Name: sodium (1-hydroxy-1-oxooctadecan-9-yl) sulfate IUPAC Name: sodium (1-hydroxy-1-oxooctadecan-9-yl) sulfate Traditional Name: sodium 1-(8-hydroxy-8-keto-octyl)decyl sulfate Formula: C18H35NaO6S MolecularWeight: 402.52167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O6S.Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1