2-bromanyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(isoxazol-5-ylmethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(5-isoxazolylmethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(isoxazol-5-ylmethylsulfonyl)benzoic acid Formula: C11H8BrNO5S MolecularWeight: 346.15392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=NO2)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=NO2)C(=O)O)Br

InChI

InChI=1S/C11H8BrNO5S/c12-10-2-1-8(5-9(10)11(14)15)19(16,17)6-7-3-4-13-18-7/h1-5H,6H2,(H,14,15)