4-[(3-methylsulfanylphenyl)sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[(3-methylsulfanylphenyl)sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[(3-methylsulfanylphenyl)sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[3-(methylthio)phenyl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[(3-methylsulfanylphenyl)sulfamoyl]-2-nitrophenolate Traditional Name: 4-[[3-(methylthio)phenyl]sulfamoyl]-2-nitro-phenolate Formula: C13H11N2O5S2- MolecularWeight: 339.36684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5S2/c1-21-10-4-2-3-9(7-10)14-22(19,20)11-5-6-13(16)12(8-11)15(17)18/h2-8,14,16H,1H3/p-1