4-bromanyl-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(isoxazol-5-ylmethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(5-isoxazolylmethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(isoxazol-5-ylmethylsulfonyl)benzoic acid Formula: C11H8BrNO5S MolecularWeight: 346.15392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CC=NO2)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CC=NO2)Br

InChI

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