1-oxidanylidene-1-propoxy-octadecane-9-sulfonic acid

Systemtic Name: 1-oxidanylidene-1-propoxy-octadecane-9-sulfonic acid Openeye Name: 1-oxo-1-propoxy-octadecane-9-sulfonic acid CAS Name: 1-oxo-1-propoxy-9-octadecanesulfonic acid IUPAC Name: 1-oxo-1-propoxyoctadecane-9-sulfonic acid Traditional Name: 1-keto-1-propoxy-octadecane-9-sulfonic acid Formula: C21H42O5S MolecularWeight: 406.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OCCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCCC)S(=O)(=O)O

InChI

InChI=1S/C21H42O5S/c1-3-5-6-7-8-10-13-16-20(27(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2/h20H,3-19H2,1-2H3,(H,23,24,25)