sodium 1-butoxy-1-oxidanylidene-octadecane-2-sulfonic acid

Systemtic Name: sodium 1-butoxy-1-oxidanylidene-octadecane-2-sulfonic acid Openeye Name: sodium 1-butoxy-1-oxo-octadecane-2-sulfonic acid CAS Name: sodium 1-butoxy-1-oxo-2-octadecanesulfonic acid IUPAC Name: sodium 1-butoxy-1-oxooctadecane-2-sulfonic acid Traditional Name: sodium 1-butoxy-1-keto-octadecane-2-sulfonic acid Formula: C22H44NaO5S+ MolecularWeight: 443.63653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44O5S.Na/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(28(24,25)26)22(23)27-20-6-4-2;/h21H,3-20H2,1-2H3,(H,24,25,26);/q;+1