3-[(2-ethoxy-3-hexadecylsulfanyl-propyl)-dimethyl-azaniumyl]propan-1-olate

Systemtic Name: 3-[(2-ethoxy-3-hexadecylsulfanyl-propyl)-dimethyl-azaniumyl]propan-1-olate Openeye Name: 3-[(2-ethoxy-3-hexadecylsulfanyl-propyl)-dimethyl-ammonio]propan-1-olate CAS Name: 3-[[2-ethoxy-3-(hexadecylthio)propyl]-dimethylammonio]-1-propanolate IUPAC Name: 3-[(2-ethoxy-3-hexadecylsulfanylpropyl)-dimethylazaniumyl]propan-1-olate Traditional Name: 3-[[3-(cetylthio)-2-ethoxy-propyl]-dimethyl-ammonio]propan-1-olate Formula: C26H55NO2S MolecularWeight: 445.7854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCC[O-])OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCC[O-])OCC

InChI

InChI=1S/C26H55NO2S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-25-26(29-6-2)24-27(3,4)21-20-22-28/h26H,5-25H2,1-4H3