sodium; 1-dodecylsulfanyldodecane; 1-hexadecylpyridin-1-ium; chloride

Systemtic Name: sodium; 1-dodecylsulfanyldodecane; 1-hexadecylpyridin-1-ium; chloride Openeye Name: sodium; 1-dodecylsulfanyldodecane; 1-hexadecylpyridin-1-ium; chloride CAS Name: sodium; 1-(dodecylthio)dodecane; 1-hexadecylpyridin-1-ium; chloride IUPAC Name: sodium; 1-dodecylsulfanyldodecane; 1-hexadecylpyridin-1-ium; chloride Traditional Name: sodium; 1-cetylpyridin-1-ium; 1-(laurylthio)dodecane; chloride Formula: C45H88ClNNaS+ MolecularWeight: 733.69469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCSCCCCCCCCCCCC.[Na+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCSCCCCCCCCCCCC.[Na+].[Cl-]

InChI

InChI=1S/C24H50S.C21H38N.ClH.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h3-24H2,1-2H3;15,17-18,20-21H,2-14,16,19H2,1H3;1H;/q;+1;;+1/p-1