2-[(3-decanoyloxy-2-nonanethioyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-decanoyloxy-2-nonanethioyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-decanoyloxy-2-nonanethioyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxodecoxy)-2-(1-sulfanylidenenonoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-decanoyloxy-2-nonanethioyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-capryloxy-2-nonanethioyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H55NO7PS+ MolecularWeight: 568.766861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=S)CCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=S)CCCCCCCC

InChI

InChI=1S/C27H54NO7PS/c1-6-8-10-12-14-15-17-19-26(29)32-23-25(35-27(37)20-18-16-13-11-9-7-2)24-34-36(30,31)33-22-21-28(3,4)5/h25H,6-24H2,1-5H3/p+1