5-(2-diethylaminoethylsulfonyl)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(2-diethylaminoethylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-(2-diethylaminoethylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-(2-diethylaminoethylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-(2-diethylaminoethylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-(2-diethylaminoethylsulfonyl)-2-fluoro-benzoic acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FNO4S/c1-3-15(4-2)7-8-20(18,19)10-5-6-12(14)11(9-10)13(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)