5-[1-hexadecoxy-3-[oxidanyl-[2-(trimethylazaniumyl)ethoxy]phosphinothioyl]oxy-propan-2-yl]oxypentanoate

Systemtic Name: 5-[1-hexadecoxy-3-[oxidanyl-[2-(trimethylazaniumyl)ethoxy]phosphinothioyl]oxy-propan-2-yl]oxypentanoate Openeye Name: 5-[1-(hexadecoxymethyl)-2-[hydroxy-[2-(trimethylammonio)ethoxy]phosphinothioyl]oxy-ethoxy]pentanoate CAS Name: 5-[1-hexadecoxy-3-[hydroxy-[2-(trimethylammonio)ethoxy]phosphinothioyl]oxypropan-2-yl]oxypentanoate IUPAC Name: 5-[1-hexadecoxy-3-[hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphinothioyl]oxypropan-2-yl]oxypentanoate Traditional Name: 5-[1-(cetyloxymethyl)-2-[hydroxy-[2-(trimethylammonio)ethoxy]thiophosphoryl]oxy-ethoxy]valerate Formula: C29H60NO7PS MolecularWeight: 597.827961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC[N+](C)(C)C)OCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC[N+](C)(C)C)OCCCCC(=O)[O-]

InChI

InChI=1S/C29H60NO7PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-34-26-28(35-24-20-18-21-29(31)32)27-37-38(33,39)36-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,39)