[2-[3-(furan-2-yl)propanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[3-(furan-2-yl)propanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[3-(2-furyl)propanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[3-(2-furanyl)-1-oxopropoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[3-(furan-2-yl)propanoyloxy]-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[3-(2-furyl)propanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H56NO9P MolecularWeight: 617.751401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC1=CC=CO1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC1=CC=CO1

InChI

InChI=1S/C31H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(33)38-26-29(41-31(34)22-21-28-19-18-24-37-28)27-40-42(35,36)39-25-23-32(2,3)4/h18-19,24,29H,5-17,20-23,25-27H2,1-4H3