bromanylmethane; methanesulfonate; methyl nitrate; methyl sulfate; 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: bromanylmethane; methanesulfonate; methyl nitrate; methyl sulfate; 2-oxidanyl-2-phenyl-ethanoate Openeye Name: bromomethane; 2-hydroxy-2-phenyl-acetate; methanesulfonate; methyl nitrate; methyl sulfate CAS Name: bromomethane; 2-hydroxy-2-phenylacetate; methanesulfonate; methyl sulfate; nitric acid methyl ester IUPAC Name: bromomethane; 2-hydroxy-2-phenylacetate; methanesulfonate; methyl nitrate; methyl sulfate Traditional Name: bromomethane; 2-hydroxy-2-phenyl-acetate; methyl sulfate; nitric acid methyl ester; mesylate Formula: C12H19BrNO13S2-3 MolecularWeight: 529.31216

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+](=O)[O-].COS(=O)(=O)[O-].CS(=O)(=O)[O-].CBr.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

CO[N+](=O)[O-].COS(=O)(=O)[O-].CS(=O)(=O)[O-].CBr.C1=CC=C(C=C1)C(C(=O)[O-])O

InChI

InChI=1S/C8H8O3.CH3Br.CH3NO3.CH4O4S.CH4O3S/c9-7(8(10)11)6-4-2-1-3-5-6;1-2;1-5-2(3)4;1-5-6(2,3)4;1-5(2,3)4/h1-5,7,9H,(H,10,11);1H3;1H3;1H3,(H,2,3,4);1H3,(H,2,3,4)/p-3