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

Systemtic Name: undecyl 2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]-3-undecoxy-but-3-enoate hexafluorophosphate Openeye Name: undecyl 2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]-3-undecoxy-but-3-enoate hexafluorophosphate CAS Name: 2-[(2,4,6-trimethyl-1-pyridin-1-iumyl)methyl]-3-undecoxy-3-butenoic acid undecyl ester hexafluorophosphate IUPAC Name: undecyl 2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]-3-undecoxybut-3-enoate hexafluorophosphate Traditional Name: 2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]-3-undecoxy-but-3-enoic acid undecyl ester hexafluorophosphate Formula: C35H62F6NO3P MolecularWeight: 689.83586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C35H62NO3.F6P/c1-7-9-11-13-15-17-19-21-23-25-38-33(6)34(29-36-31(4)27-30(3)28-32(36)5)35(37)39-26-24-22-20-18-16-14-12-10-8-2;1-7(2,3,4,5)6/h27-28,34H,6-26,29H2,1-5H3;/q+1;-1