2-[[(E)-2-[13-(dioxidanyl)tetradec-13-enoylamino]-3-oxidanyl-hex-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E)-2-[13-(dioxidanyl)tetradec-13-enoylamino]-3-oxidanyl-hex-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E)-2-(13-hydroperoxytetradec-13-enoylamino)-3-hydroxy-hex-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(E)-2-[(13-hydroperoxy-1-oxotetradec-13-enyl)amino]-3-hydroxyhex-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E)-2-(13-hydroperoxytetradec-13-enoylamino)-3-hydroxyhex-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(E)-2-(13-hydroperoxytetradec-13-enoylamino)-3-hydroxy-hex-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C25H50N2O8P+ MolecularWeight: 537.646861

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCC(=C)OO)O

Isomeric SMILES

C/C=C/C(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCC(=C)OO)O

InChI

InChI=1S/C25H49N2O8P/c1-6-16-24(28)23(21-34-36(31,32)33-20-19-27(3,4)5)26-25(29)18-15-13-11-9-7-8-10-12-14-17-22(2)35-30/h6,16,23-24,28H,2,7-15,17-21H2,1,3-5H3,(H2-,26,29,30,31,32)/p+1/b16-6+