5-chloranylsulfonyl-2-ethyl-4-fluoranyl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-ethyl-4-fluoranyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2-ethyl-4-fluoro-benzoic acid CAS Name: 5-chlorosulfonyl-2-ethyl-4-fluorobenzoic acid IUPAC Name: 5-chlorosulfonyl-2-ethyl-4-fluorobenzoic acid Traditional Name: 5-chlorosulfonyl-2-ethyl-4-fluoro-benzoic acid Formula: C9H8ClFO4S MolecularWeight: 266.673823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)F

InChI

InChI=1S/C9H8ClFO4S/c1-2-5-3-7(11)8(16(10,14)15)4-6(5)9(12)13/h3-4H,2H2,1H3,(H,12,13)