2-[[3-hexadecanoyloxy-2-[(E)-4-oxidanyl-7-oxidanylidene-hept-5-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyloxy-2-[(E)-4-oxidanyl-7-oxidanylidene-hept-5-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-oxo-hept-5-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[(E)-4-hydroxy-1,7-dioxohept-5-enoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-hexadecanoyloxy-2-[(E)-4-hydroxy-7-keto-hept-5-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H59NO10P+ MolecularWeight: 636.774621

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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/p+1/b19-18+