2-[(3-hexadecylsulfanyl-2-propoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-hexadecylsulfanyl-2-propoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-hexadecylsulfanyl-2-propoxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(hexadecylthio)-2-propoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-hexadecylsulfanyl-2-propoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(cetylthio)-2-propoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H59NO5PS+ MolecularWeight: 540.799821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCCC

InChI

InChI=1S/C27H58NO5PS/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-26-27(31-22-7-2)25-33-34(29,30)32-23-21-28(3,4)5/h27H,6-26H2,1-5H3/p+1