dimethyl-[(5-nitro-2-oxidanyl-phenyl)methyl]sulfanium bromide

Systemtic Name: dimethyl-[(5-nitro-2-oxidanyl-phenyl)methyl]sulfanium bromide Openeye Name: (2-hydroxy-5-nitro-phenyl)methyl-dimethyl-sulfonium bromide CAS Name: (2-hydroxy-5-nitrophenyl)methyl-dimethylsulfonium bromide IUPAC Name: (2-hydroxy-5-nitrophenyl)methyl-dimethylsulfanium bromide Traditional Name: (2-hydroxy-5-nitro-benzyl)-dimethyl-sulfonium bromide Formula: C9H12BrNO3S MolecularWeight: 294.16548

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC1=C(C=CC(=C1)[N+](=O)[O-])O.[Br-]

Isomeric SMILES

C[S+](C)CC1=C(C=CC(=C1)[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C9H11NO3S.BrH/c1-14(2)6-7-5-8(10(12)13)3-4-9(7)11;/h3-5H,6H2,1-2H3;1H