5,7-bis(bromanyl)-2,3-dimethyl-2H-1,3-benzoxazole; methyl sulfate

Systemtic Name: 5,7-bis(bromanyl)-2,3-dimethyl-2H-1,3-benzoxazole; methyl sulfate Openeye Name: 5,7-dibromo-2,3-dimethyl-2H-1,3-benzoxazole; methyl sulfate CAS Name: 5,7-dibromo-2,3-dimethyl-2H-1,3-benzoxazole; methyl sulfate IUPAC Name: 5,7-dibromo-2,3-dimethyl-2H-1,3-benzoxazole; methyl sulfate Traditional Name: 5,7-dibromo-2,3-dimethyl-2H-1,3-benzoxazole; methyl sulfate Formula: C10H12Br2NO5S- MolecularWeight: 418.07898

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC(=CC(=C2O1)Br)Br)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=CC(=CC(=C2O1)Br)Br)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H9Br2NO.CH4O4S/c1-5-12(2)8-4-6(10)3-7(11)9(8)13-5;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/p-1