5-bromanyl-2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(bromomethyl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-[3-(bromomethyl)-5-methylol-1,2,4-triazol-4-yl]benzoic acid Formula: C11H9Br2N3O3 MolecularWeight: 391.01546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)N2C(=NN=C2CBr)CO

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)N2C(=NN=C2CBr)CO

InChI

InChI=1S/C11H9Br2N3O3/c12-4-9-14-15-10(5-17)16(9)8-2-1-6(13)3-7(8)11(18)19/h1-3,17H,4-5H2,(H,18,19)