1-[[1-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propan-2-yl]oxy-oxidanyl-phosphoryl]propyl-trimethyl-azanium

Systemtic Name: 1-[[1-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propan-2-yl]oxy-oxidanyl-phosphoryl]propyl-trimethyl-azanium Openeye Name: 1-[[1-[[(E)-docos-13-enoyl]oxymethyl]-2-hydroxy-ethoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium CAS Name: 1-[hydroxy-[1-hydroxy-3-[(E)-1-oxodocos-13-enoxy]propan-2-yl]oxyphosphoryl]propyl-trimethylammonium IUPAC Name: 1-[[1-[(E)-docos-13-enoyl]oxy-3-hydroxypropan-2-yl]oxy-hydroxyphosphoryl]propyl-trimethylazanium Traditional Name: 1-[[1-[[(E)-docos-13-enoyl]oxymethyl]-2-hydroxy-ethoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium Formula: C31H63NO6P+ MolecularWeight: 576.808781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(CO)OP(=O)(C(CC)[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCC(CO)OP(=O)(C(CC)[N+](C)(C)C)O

InChI

InChI=1S/C31H62NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(34)37-28-29(27-33)38-39(35,36)30(7-2)32(3,4)5/h14-15,29-30,33H,6-13,16-28H2,1-5H3/p+1/b15-14+