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

Systemtic Name: 2-[(2-ethoxy-3-hexadecylsulfanyl-propoxy)-oxidanyl-phosphoryl]oxyethyl-triethyl-azanium Openeye Name: 2-[(2-ethoxy-3-hexadecylsulfanyl-propoxy)-hydroxy-phosphoryl]oxyethyl-triethyl-ammonium CAS Name: 2-[[2-ethoxy-3-(hexadecylthio)propoxy]-hydroxyphosphoryl]oxyethyl-triethylammonium IUPAC Name: 2-[(2-ethoxy-3-hexadecylsulfanylpropoxy)-hydroxyphosphoryl]oxyethyl-triethylazanium Traditional Name: 2-[[3-(cetylthio)-2-ethoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-triethyl-ammonium Formula: C29H63NO5PS+ MolecularWeight: 568.852981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](CC)(CC)CC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](CC)(CC)CC)OCC

InChI

InChI=1S/C29H62NO5PS/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-26-37-28-29(33-10-5)27-35-36(31,32)34-25-24-30(7-2,8-3)9-4/h29H,6-28H2,1-5H3/p+1