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

Systemtic Name: 2-bromanyl-5-but-3-ynylsulfonyl-benzoic acid Openeye Name: 2-bromo-5-but-3-ynylsulfonyl-benzoic acid CAS Name: 2-bromo-5-but-3-ynylsulfonylbenzoic acid IUPAC Name: 2-bromo-5-but-3-ynylsulfonylbenzoic acid Traditional Name: 2-bromo-5-but-3-ynylsulfonyl-benzoic acid Formula: C11H9BrO4S MolecularWeight: 317.15576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9BrO4S/c1-2-3-6-17(15,16)8-4-5-10(12)9(7-8)11(13)14/h1,4-5,7H,3,6H2,(H,13,14)