2-[4,5-bis(bromanyl)-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: 2-[4,5-bis(bromanyl)-1,2-benzothiazol-3-yl]ethanoate Openeye Name: 2-(4,5-dibromo-1,2-benzothiazol-3-yl)acetate CAS Name: 2-(4,5-dibromo-1,2-benzothiazol-3-yl)acetate IUPAC Name: 2-(4,5-dibromo-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-(4,5-dibromo-1,2-benzothiazol-3-yl)acetate Formula: C9H4Br2NO2S- MolecularWeight: 350.00656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1SN=C2CC(=O)[O-])Br)Br

Isomeric SMILES

C1=CC(=C(C2=C1SN=C2CC(=O)[O-])Br)Br

InChI

InChI=1S/C9H5Br2NO2S/c10-4-1-2-6-8(9(4)11)5(12-15-6)3-7(13)14/h1-2H,3H2,(H,13,14)/p-1