3-(2-diethylaminoethylsulfonyl)-2,6-bis(fluoranyl)benzoic acid

Systemtic Name: 3-(2-diethylaminoethylsulfonyl)-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-(2-diethylaminoethylsulfonyl)-2,6-difluoro-benzoic acid CAS Name: 3-(2-diethylaminoethylsulfonyl)-2,6-difluorobenzoic acid IUPAC Name: 3-(2-diethylaminoethylsulfonyl)-2,6-difluorobenzoic acid Traditional Name: 3-(2-diethylaminoethylsulfonyl)-2,6-difluoro-benzoic acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

InChI

InChI=1S/C13H17F2NO4S/c1-3-16(4-2)7-8-21(19,20)10-6-5-9(14)11(12(10)15)13(17)18/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)