2-[1-(2-ethyl-5-fluoranyl-phenyl)tridecylsulfonyl]-4,5-dimethyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2-ethyl-5-fluoranyl-phenyl)tridecylsulfonyl]-4,5-dimethyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2-ethyl-5-fluoro-phenyl)tridecylsulfonyl]-4,5-dimethyl-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2-ethyl-5-fluorophenyl)tridecylsulfonyl]-4,5-dimethyl-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2-ethyl-5-fluorophenyl)tridecylsulfonyl]-4,5-dimethyl-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2-ethyl-5-fluoro-phenyl)tridecylsulfonyl]-4,5-dimethyl-1-oxido-pyridin-1-ium Formula: C28H42FNO3S MolecularWeight: 491.701383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=C(C=CC(=C1)F)CC)S(=O)(=O)C2=[N+](C=C(C(=C2)C)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(C1=C(C=CC(=C1)F)CC)S(=O)(=O)C2=[N+](C=C(C(=C2)C)C)[O-]

InChI

InChI=1S/C28H42FNO3S/c1-5-7-8-9-10-11-12-13-14-15-16-27(26-20-25(29)18-17-24(26)6-2)34(32,33)28-19-22(3)23(4)21-30(28)31/h17-21,27H,5-16H2,1-4H3