4-methylbenzenesulfonic acid; 2,2,2-tris(fluoranyl)-N-[3-(2-hydroxyethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 4-methylbenzenesulfonic acid; 2,2,2-tris(fluoranyl)-N-[3-(2-hydroxyethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 4-methylbenzenesulfonic acid; 2,2,2-trifluoro-N-[3-(2-hydroxyethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 4-methylbenzenesulfonic acid; 2,2,2-trifluoro-N-[3-(2-hydroxyethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 4-methylbenzenesulfonic acid; 2,2,2-trifluoro-N-[3-(2-hydroxyethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: tosylic acid; 2,2,2-trifluoro-N-[3-(2-hydroxyethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]acetamide Formula: C19H16F6N2O6S2 MolecularWeight: 546.460559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1OC(F)(F)F)SC(=NC(=O)C(F)(F)F)N2CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1OC(F)(F)F)SC(=NC(=O)C(F)(F)F)N2CCO

InChI

InChI=1S/C12H8F6N2O3S.C7H8O3S/c13-11(14,15)9(22)19-10-20(3-4-21)7-2-1-6(5-8(7)24-10)23-12(16,17)18;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,21H,3-4H2;2-5H,1H3,(H,8,9,10)