5-isothiocyanatobenzene-1,3-dicarbonyl bromide

Systemtic Name: 5-isothiocyanatobenzene-1,3-dicarbonyl bromide Openeye Name: 5-isothiocyanatobenzene-1,3-dicarbonyl bromide CAS Name: 5-isothiocyanatobenzene-1,3-dicarbonyl bromide IUPAC Name: 5-isothiocyanatobenzene-1,3-dicarbonyl bromide Traditional Name: 5-isothiocyanatobenzene-1,3-dicarbonyl bromide Formula: C9H3Br2NO2S MolecularWeight: 348.99862

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)Br)N=C=S)C(=O)Br

Isomeric SMILES

C1=C(C=C(C=C1C(=O)Br)N=C=S)C(=O)Br

InChI

InChI=1S/C9H3Br2NO2S/c10-8(13)5-1-6(9(11)14)3-7(2-5)12-4-15/h1-3H