[5,7-bis(bromanyl)-1,3-benzoxathiol-2-ylidene]-dimethyl-azanium bromide

Systemtic Name: [5,7-bis(bromanyl)-1,3-benzoxathiol-2-ylidene]-dimethyl-azanium bromide Openeye Name: (5,7-dibromo-1,3-benzoxathiol-2-ylidene)-dimethyl-ammonium bromide CAS Name: (5,7-dibromo-1,3-benzoxathiol-2-ylidene)-dimethylammonium bromide IUPAC Name: (5,7-dibromo-1,3-benzoxathiol-2-ylidene)-dimethylazanium bromide Traditional Name: (5,7-dibromo-1,3-benzoxathiol-2-ylidene)-dimethyl-ammonium bromide Formula: C9H8Br3NOS MolecularWeight: 417.94292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1OC2=C(C=C(C=C2S1)Br)Br)C.[Br-]

Isomeric SMILES

C[N+](=C1OC2=C(C=C(C=C2S1)Br)Br)C.[Br-]

InChI

InChI=1S/C9H8Br2NOS.BrH/c1-12(2)9-13-8-6(11)3-5(10)4-7(8)14-9;/h3-4H,1-2H3;1H/q+1;/p-1