2-[(2-heptadecanethioyloxy-3-hexadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(2-heptadecanethioyloxy-3-hexadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-heptadecanethioyloxy-3-hexadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxohexadecoxy)-2-(1-sulfanylideneheptadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-heptadecanethioyloxy-3-hexadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-heptadecanethioyloxy-3-hexadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C41H83NO7PS+ MolecularWeight: 765.138981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=S)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=S)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C41H82NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(51)49-39(38-48-50(44,45)47-36-35-42(3,4)5)37-46-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/p+1