tridecyl 3-tridecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate

Systemtic Name: tridecyl 3-tridecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate Openeye Name: tridecyl 3-tridecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate CAS Name: 3-tridecoxy-2-[(2,4,6-trimethyl-1-pyridin-1-iumyl)methyl]-3-butenoic acid tridecyl ester hexafluorophosphate IUPAC Name: tridecyl 3-tridecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate Traditional Name: 3-tridecoxy-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoic acid tridecyl ester hexafluorophosphate Formula: C39H70F6NO3P MolecularWeight: 745.94218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C39H70NO3.F6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-42-37(6)38(33-40-35(4)31-34(3)32-36(40)5)39(41)43-30-28-26-24-22-20-18-16-14-12-10-8-2;1-7(2,3,4,5)6/h31-32,38H,6-30,33H2,1-5H3;/q+1;-1