[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-sulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C19H12F3NO6S MolecularWeight: 439.36189

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C19H12F3NO6S/c20-19(21,22)14-9-18(25)28-16-8-11(2-4-13(14)16)29-30(26,27)12-3-5-15-10(7-12)1-6-17(24)23-15/h2-5,7-9H,1,6H2,(H,23,24)