1-[2,5-bis(fluoranyl)phenyl]-1-methyl-2-(5-methylsulfonylpentylsulfonyl)imidazol-1-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-1-methyl-2-(5-methylsulfonylpentylsulfonyl)imidazol-1-ium Openeye Name: 1-(2,5-difluorophenyl)-1-methyl-2-(5-methylsulfonylpentylsulfonyl)imidazol-1-ium CAS Name: 1-(2,5-difluorophenyl)-1-methyl-2-(5-methylsulfonylpentylsulfonyl)imidazol-1-ium IUPAC Name: 1-(2,5-difluorophenyl)-1-methyl-2-(5-methylsulfonylpentylsulfonyl)imidazol-1-ium Traditional Name: 1-(2,5-difluorophenyl)-2-(5-mesylpentylsulfonyl)-1-methyl-imidazol-1-ium Formula: C16H21F2N2O4S2+ MolecularWeight: 407.475746

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CN=C1S(=O)(=O)CCCCCS(=O)(=O)C)C2=C(C=CC(=C2)F)F

Isomeric SMILES

C[N+]1(C=CN=C1S(=O)(=O)CCCCCS(=O)(=O)C)C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C16H21F2N2O4S2/c1-20(15-12-13(17)6-7-14(15)18)9-8-19-16(20)26(23,24)11-5-3-4-10-25(2,21)22/h6-9,12H,3-5,10-11H2,1-2H3/q+1