2-[2,2-bis(2-tridec-10-ynylsulfanylethanoyloxy)ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,2-bis(2-tridec-10-ynylsulfanylethanoyloxy)ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,2-bis[(2-tridec-10-ynylsulfanylacetyl)oxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,2-bis[1-oxo-2-(tridec-10-ynylthio)ethoxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,2-bis[(2-tridec-10-ynylsulfanylacetyl)oxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,2-bis[[2-(tridec-10-ynylthio)acetyl]oxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C37H67NO8PS2+ MolecularWeight: 749.033541

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCCSCC(=O)OC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CSCCCCCCCCCC#CCC

Isomeric SMILES

CCC#CCCCCCCCCCSCC(=O)OC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CSCCCCCCCCCC#CCC

InChI

InChI=1S/C37H66NO8PS2/c1-6-8-10-12-14-16-18-20-22-24-26-30-48-33-35(39)45-37(32-44-47(41,42)43-29-28-38(3,4)5)46-36(40)34-49-31-27-25-23-21-19-17-15-13-11-9-7-2/h37H,6-7,12-34H2,1-5H3/p+1