(2-methoxy-5-nitro-phenyl)methyl-dimethyl-sulfanium bromide

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl-dimethyl-sulfanium bromide Openeye Name: (2-methoxy-5-nitro-phenyl)methyl-dimethyl-sulfonium bromide CAS Name: (2-methoxy-5-nitrophenyl)methyl-dimethylsulfonium bromide IUPAC Name: (2-methoxy-5-nitrophenyl)methyl-dimethylsulfanium bromide Traditional Name: (2-methoxy-5-nitro-benzyl)-dimethyl-sulfonium bromide Formula: C10H14BrNO3S MolecularWeight: 308.19206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C[S+](C)C.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C[S+](C)C.[Br-]

InChI

InChI=1S/C10H14NO3S.BrH/c1-14-10-5-4-9(11(12)13)6-8(10)7-15(2)3;/h4-6H,7H2,1-3H3;1H/q+1;/p-1