4-(4-azanyl-3-bromanyl-5-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(4-azanyl-3-bromanyl-5-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(4-amino-3-bromo-5-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(4-amino-3-bromo-5-nitrophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-amino-3-bromo-5-nitrophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(4-amino-3-bromo-5-nitro-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C12H9BrN2O6S3 MolecularWeight: 453.30866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])N)Br

InChI

InChI=1S/C12H9BrN2O6S3/c1-22-12-9(4-8(23-12)11(16)17)24(20,21)5-2-6(13)10(14)7(3-5)15(18)19/h2-4H,14H2,1H3,(H,16,17)