[6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (6,6-difluoro-5-methyl-hex-5-enyl) 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (6,6-difluoro-5-methylhex-5-enyl) ester IUPAC Name: (6,6-difluoro-5-methylhex-5-enyl) 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (6,6-difluoro-5-methyl-hex-5-enyl) ester Formula: C13H15F2NO3 MolecularWeight: 271.259906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(F)F)CCCCOC(=O)C1=C[N+](=CC=C1)[O-]

Isomeric SMILES

CC(=C(F)F)CCCCOC(=O)C1=C[N+](=CC=C1)[O-]

InChI

InChI=1S/C13H15F2NO3/c1-10(12(14)15)5-2-3-8-19-13(17)11-6-4-7-16(18)9-11/h4,6-7,9H,2-3,5,8H2,1H3