5-butan-2-ylsulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-butan-2-ylsulfonyl-2-fluoranyl-benzoic acid Openeye Name: 2-fluoro-5-sec-butylsulfonyl-benzoic acid CAS Name: 5-butan-2-ylsulfonyl-2-fluorobenzoic acid IUPAC Name: 5-butan-2-ylsulfonyl-2-fluorobenzoic acid Traditional Name: 2-fluoro-5-sec-butylsulfonyl-benzoic acid Formula: C11H13FO4S MolecularWeight: 260.281923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O

Isomeric SMILES

CCC(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O

InChI

InChI=1S/C11H13FO4S/c1-3-7(2)17(15,16)8-4-5-10(12)9(6-8)11(13)14/h4-7H,3H2,1-2H3,(H,13,14)