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

Systemtic Name: 4-(3-bromanyl-5-nitro-4-phenylazanyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(4-anilino-3-bromo-5-nitro-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(4-anilino-3-bromo-5-nitrophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-anilino-3-bromo-5-nitrophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(4-anilino-3-bromo-5-nitro-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C18H13BrN2O6S3 MolecularWeight: 529.40462

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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-])NC3=CC=CC=C3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=CC=C3)Br

InChI

InChI=1S/C18H13BrN2O6S3/c1-28-18-15(9-14(29-18)17(22)23)30(26,27)11-7-12(19)16(13(8-11)21(24)25)20-10-5-3-2-4-6-10/h2-9,20H,1H3,(H,22,23)