[2-methylsulfonyloxy-3-[(E)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-methylsulfonyloxy-3-[(E)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-methylsulfonyloxy-3-[(E)-octadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-methylsulfonyloxy-3-[(E)-octadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-methylsulfonyloxy-3-[(E)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-methylsulfonyloxy-3-[(E)-octadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C27H56NO8PS MolecularWeight: 585.774201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C27H56NO8PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-27(36-38(5,31)32)26-35-37(29,30)34-24-22-28(2,3)4/h13-14,27H,6-12,15-26H2,1-5H3/b14-13+