5-bromanyl-3-but-3-ynylsulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-bromanyl-3-but-3-ynylsulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-but-3-ynylsulfonyl-2-fluoro-benzoic acid CAS Name: 5-bromo-3-but-3-ynylsulfonyl-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-but-3-ynylsulfonyl-2-fluorobenzoic acid Traditional Name: 5-bromo-3-but-3-ynylsulfonyl-2-fluoro-benzoic acid Formula: C11H8BrFO4S MolecularWeight: 335.146223

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

Isomeric SMILES

C#CCCS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

InChI

InChI=1S/C11H8BrFO4S/c1-2-3-4-18(16,17)9-6-7(12)5-8(10(9)13)11(14)15/h1,5-6H,3-4H2,(H,14,15)