[2-[ethyl(11-methylpentadecanoylsulfanyl)phosphoryl]-2-(11-methylpentadecanoylsulfanyl)-2-oxidanyl-ethyl]-trimethyl-azanium

Systemtic Name: [2-[ethyl(11-methylpentadecanoylsulfanyl)phosphoryl]-2-(11-methylpentadecanoylsulfanyl)-2-oxidanyl-ethyl]-trimethyl-azanium Openeye Name: [2-[ethyl(11-methylpentadecanoylsulfanyl)phosphoryl]-2-hydroxy-2-(11-methylpentadecanoylsulfanyl)ethyl]-trimethyl-ammonium CAS Name: [2-[ethyl-[(11-methyl-1-oxopentadecyl)thio]phosphoryl]-2-hydroxy-2-[(11-methyl-1-oxopentadecyl)thio]ethyl]-trimethylammonium IUPAC Name: [2-[ethyl(11-methylpentadecanoylsulfanyl)phosphoryl]-2-hydroxy-2-(11-methylpentadecanoylsulfanyl)ethyl]-trimethylazanium Traditional Name: [2-[ethyl-(11-methylpentadecanoylthio)phosphoryl]-2-hydroxy-2-(11-methylpentadecanoylthio)ethyl]-trimethyl-ammonium Formula: C39H79NO4PS2+ MolecularWeight: 721.152621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCCCCCCCCC(=O)SC(C[N+](C)(C)C)(O)P(=O)(CC)SC(=O)CCCCCCCCCC(C)CCCC

Isomeric SMILES

CCCCC(C)CCCCCCCCCC(=O)SC(C[N+](C)(C)C)(O)P(=O)(CC)SC(=O)CCCCCCCCCC(C)CCCC

InChI

InChI=1S/C39H79NO4PS2/c1-9-12-28-35(4)30-24-20-16-14-18-22-26-32-37(41)46-39(43,34-40(6,7)8)45(44,11-3)47-38(42)33-27-23-19-15-17-21-25-31-36(5)29-13-10-2/h35-36,43H,9-34H2,1-8H3/q+1