[2-(2-nitrophenyl)phenyl]methylsulfanium sulfate

Systemtic Name: [2-(2-nitrophenyl)phenyl]methylsulfanium sulfate Openeye Name: [2-(2-nitrophenyl)phenyl]methylsulfonium sulfate CAS Name: [2-(2-nitrophenyl)phenyl]methylsulfonium sulfate IUPAC Name: [2-(2-nitrophenyl)phenyl]methylsulfanium sulfate Traditional Name: [2-(2-nitrophenyl)benzyl]sulfonium sulfate Formula: C13H12NO6S2- MolecularWeight: 342.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[SH2+])C2=CC=CC=C2[N+](=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[SH2+])C2=CC=CC=C2[N+](=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C13H11NO2S.H2O4S/c15-14(16)13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-17;1-5(2,3)4/h1-8,17H,9H2;(H2,1,2,3,4)/p-1