[1-[(E)-docos-13-enoxy]-3-oxidanyl-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[(E)-docos-13-enoxy]-3-oxidanyl-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(E)-docos-13-enoxy]methyl]-2-hydroxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[(E)-docos-13-enoxy]-3-hydroxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[(E)-docos-13-enoxy]-3-hydroxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[(E)-docos-13-enoxy]methyl]-2-hydroxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C30H62NO6P MolecularWeight: 563.790141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOCC(CO)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOCC(CO)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C30H62NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-35-29-30(28-32)37-38(33,34)36-27-25-31(2,3)4/h12-13,30,32H,5-11,14-29H2,1-4H3/b13-12+