4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 4-(4-mesylphenyl)-5-(4-nitrophenyl)-2-thenoic acid Formula: C18H13NO6S2 MolecularWeight: 403.42892

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO6S2/c1-27(24,25)14-8-4-11(5-9-14)15-10-16(18(20)21)26-17(15)12-2-6-13(7-3-12)19(22)23/h2-10H,1H3,(H,20,21)