2,6-bis(fluoranyl)-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 2,6-difluoro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 2,6-difluoro-3-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 2,6-difluoro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 2,6-difluoro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Formula: C12H10F2N2O4S MolecularWeight: 316.280606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CCN2C=CN=C2

InChI

InChI=1S/C12H10F2N2O4S/c13-8-1-2-9(11(14)10(8)12(17)18)21(19,20)6-5-16-4-3-15-7-16/h1-4,7H,5-6H2,(H,17,18)