sodium 1-oxidanylidene-1-propan-2-yloxy-octadecane-2-sulfonic acid

Systemtic Name: sodium 1-oxidanylidene-1-propan-2-yloxy-octadecane-2-sulfonic acid Openeye Name: sodium 1-isopropoxy-1-oxo-octadecane-2-sulfonic acid CAS Name: sodium 1-oxo-1-propan-2-yloxy-2-octadecanesulfonic acid IUPAC Name: sodium 1-oxo-1-propan-2-yloxyoctadecane-2-sulfonic acid Traditional Name: sodium 1-isopropoxy-1-keto-octadecane-2-sulfonic acid Formula: C21H42NaO5S+ MolecularWeight: 429.60995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)OC(C)C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)OC(C)C)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C21H42O5S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27(23,24)25)21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1