[3-hexadecanoyloxy-2-[(E)-4-oxidanyl-7-oxidanylidene-hept-5-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-[(E)-4-oxidanyl-7-oxidanylidene-hept-5-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-oxo-hept-5-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[(E)-4-hydroxy-1,7-dioxohept-5-enoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-keto-hept-5-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H58NO10P MolecularWeight: 635.766681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC(/C=C/C=O)O

InChI

InChI=1S/C31H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(35)39-26-29(42-31(36)22-21-28(34)19-18-24-33)27-41-43(37,38)40-25-23-32(2,3)4/h18-19,24,28-29,34H,5-17,20-23,25-27H2,1-4H3/b19-18+