2-[(3-hexadecylsulfanylcyclohexyl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-hexadecylsulfanylcyclohexyl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-hexadecylsulfanylcyclohexoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-(hexadecylthio)cyclohexyl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-hexadecylsulfanylcyclohexyl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(cetylthio)cyclohexoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H57NO4PS+ MolecularWeight: 522.784541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1CCCC(C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1CCCC(C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C27H56NO4PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-34-27-21-19-20-26(25-27)32-33(29,30)31-23-22-28(2,3)4/h26-27H,5-25H2,1-4H3/p+1