3-phenyl-2-[(2-thiophen-2-ylethanoyldiazenyl)methyl]-4-(trifluoromethyl)benzenesulfonic acid

Systemtic Name: 3-phenyl-2-[(2-thiophen-2-ylethanoyldiazenyl)methyl]-4-(trifluoromethyl)benzenesulfonic acid Openeye Name: 3-phenyl-2-[[2-(2-thienyl)acetyl]azomethyl]-4-(trifluoromethyl)benzenesulfonic acid CAS Name: 2-[(1-oxo-2-thiophen-2-ylethyl)azomethyl]-3-phenyl-4-(trifluoromethyl)benzenesulfonic acid IUPAC Name: 3-phenyl-2-[[(2-thiophen-2-ylacetyl)diazenyl]methyl]-4-(trifluoromethyl)benzenesulfonic acid Traditional Name: 3-phenyl-2-[[2-(2-thienyl)acetyl]azomethyl]-4-(trifluoromethyl)besylic acid Formula: C20H15F3N2O4S2 MolecularWeight: 468.46931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2CN=NC(=O)CC3=CC=CS3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2CN=NC(=O)CC3=CC=CS3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4S2/c21-20(22,23)16-8-9-17(31(27,28)29)15(19(16)13-5-2-1-3-6-13)12-24-25-18(26)11-14-7-4-10-30-14/h1-10H,11-12H2,(H,27,28,29)