2-[2,3-bis(2-ethylsulfanylhexadecanethioyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis(2-ethylsulfanylhexadecanethioyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis(2-ethylsulfanylhexadecanethioyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[2-(ethylthio)-1-sulfanylidenehexadecoxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis(2-ethylsulfanylhexadecanethioyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[2-(ethylthio)hexadecanethioyloxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H89NO6PS4+ MolecularWeight: 887.414321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=S)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=S)C(CCCCCCCCCCCCCC)SCC)SCC

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=S)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=S)C(CCCCCCCCCCCCCC)SCC)SCC

InChI

InChI=1S/C44H88NO6PS4/c1-8-12-14-16-18-20-22-24-26-28-30-32-34-41(55-10-3)43(53)48-38-40(39-50-52(46,47)49-37-36-45(5,6)7)51-44(54)42(56-11-4)35-33-31-29-27-25-23-21-19-17-15-13-9-2/h40-42H,8-39H2,1-7H3/p+1