2-[2,2-bis[2-[(E)-tetradec-6-enyl]sulfanylethanoyloxy]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,2-bis[2-[(E)-tetradec-6-enyl]sulfanylethanoyloxy]ethoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,2-bis[[2-[(E)-tetradec-6-enyl]sulfanylacetyl]oxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,2-bis[1-oxo-2-[[(E)-tetradec-6-enyl]thio]ethoxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,2-bis[[2-[(E)-tetradec-6-enyl]sulfanylacetyl]oxy]ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,2-bis[[2-[[(E)-tetradec-6-enyl]thio]acetyl]oxy]ethoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C39H75NO8PS2+ MolecularWeight: 781.118461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCSCC(=O)OC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CSCCCCCC=CCCCCCCC

Isomeric SMILES

CCCCCCC/C=C/CCCCCSCC(=O)OC(OC(=O)CSCCCCC/C=C/CCCCCCC)COP(=O)(OCC[N+](C)(C)C)O

InChI

InChI=1S/C39H74NO8PS2/c1-6-8-10-12-14-16-18-20-22-24-26-28-32-50-35-37(41)47-39(34-46-49(43,44)45-31-30-40(3,4)5)48-38(42)36-51-33-29-27-25-23-21-19-17-15-13-11-9-7-2/h18-21,39H,6-17,22-36H2,1-5H3/p+1/b20-18+,21-19+