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

Systemtic Name: 2-[2,3-bis(heptanoylsulfanyl)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis(heptanoylsulfanyl)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis(1-oxoheptylthio)propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis(heptanoylsulfanyl)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis(enanthylthio)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C22H45NO6PS2+ MolecularWeight: 514.699561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SCC(COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCC

Isomeric SMILES

CCCCCCC(=O)SCC(COP(=O)(O)OCC[N+](C)(C)C)SC(=O)CCCCCC

InChI

InChI=1S/C22H44NO6PS2/c1-6-8-10-12-14-21(24)31-19-20(32-22(25)15-13-11-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h20H,6-19H2,1-5H3/p+1