2-[2,3-bis(11-ethylsulfanylundecanethioyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis(11-ethylsulfanylundecanethioyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis(11-ethylsulfanylundecanethioyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[11-(ethylthio)-1-sulfanylideneundecoxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis(11-ethylsulfanylundecanethioyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[11-(ethylthio)undecanethioyloxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H69NO6PS4+ MolecularWeight: 747.148521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCCCCCC(=S)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=S)CCCCCCCCCCSCC

Isomeric SMILES

CCSCCCCCCCCCCC(=S)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=S)CCCCCCCCCCSCC

InChI

InChI=1S/C34H68NO6PS4/c1-6-45-28-22-18-14-10-8-12-16-20-24-33(43)38-30-32(31-40-42(36,37)39-27-26-35(3,4)5)41-34(44)25-21-17-13-9-11-15-19-23-29-46-7-2/h32H,6-31H2,1-5H3/p+1