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

Systemtic Name: 5-bromanyl-2-fluoranyl-3-prop-2-ynylsulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-prop-2-ynylsulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-prop-2-ynylsulfonylbenzoic acid IUPAC Name: 5-bromo-2-fluoro-3-prop-2-ynylsulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-propargylsulfonyl-benzoic acid Formula: C10H6BrFO4S MolecularWeight: 321.119643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6BrFO4S/c1-2-3-17(15,16)8-5-6(11)4-7(9(8)12)10(13)14/h1,4-5H,3H2,(H,13,14)