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

Systemtic Name: 1-[[1-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propan-2-yl]oxy-oxidanyl-phosphoryl]butyl-trimethyl-azanium Openeye Name: 1-[[1-[[(E)-docos-13-enoyl]oxymethyl]-2-hydroxy-ethoxy]-hydroxy-phosphoryl]butyl-trimethyl-ammonium CAS Name: 1-[hydroxy-[1-hydroxy-3-[(E)-1-oxodocos-13-enoxy]propan-2-yl]oxyphosphoryl]butyl-trimethylammonium IUPAC Name: 1-[[1-[(E)-docos-13-enoyl]oxy-3-hydroxypropan-2-yl]oxy-hydroxyphosphoryl]butyl-trimethylazanium Traditional Name: 1-[[1-[[(E)-docos-13-enoyl]oxymethyl]-2-hydroxy-ethoxy]-hydroxy-phosphoryl]butyl-trimethyl-ammonium Formula: C32H65NO6P+ MolecularWeight: 590.835361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H64NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-32(35)38-29-30(28-34)39-40(36,37)31(26-7-2)33(3,4)5/h14-15,30-31,34H,6-13,16-29H2,1-5H3/p+1/b15-14+