[(Z)-heptadec-9-enyl] 3-[(Z)-heptadec-9-enoxy]-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate

Systemtic Name: [(Z)-heptadec-9-enyl] 3-[(Z)-heptadec-9-enoxy]-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate Openeye Name: [(Z)-heptadec-9-enyl] 3-[(Z)-heptadec-9-enoxy]-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate CAS Name: 3-[(Z)-heptadec-9-enoxy]-2-[(2,4,6-trimethyl-1-pyridin-1-iumyl)methyl]-3-butenoic acid [(Z)-heptadec-9-enyl] ester hexafluorophosphate IUPAC Name: [(Z)-heptadec-9-enyl] 3-[(Z)-heptadec-9-enoxy]-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoate hexafluorophosphate Traditional Name: 3-[(Z)-heptadec-9-enoxy]-2-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]but-3-enoic acid [(Z)-heptadec-9-enyl] ester hexafluorophosphate Formula: C47H82F6NO3P MolecularWeight: 854.12306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCCC=CCCCCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCC/C=C\CCCCCCCCOC(=C)C(C[N+]1=C(C=C(C=C1C)C)C)C(=O)OCCCCCCCC/C=C\CCCCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C47H82NO3.F6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-50-45(6)46(41-48-43(4)39-42(3)40-44(48)5)47(49)51-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;1-7(2,3,4,5)6/h19-22,39-40,46H,6-18,23-38,41H2,1-5H3;/q+1;-1/b21-19-,22-20-;