6-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylic acid CAS Name: 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-(trifluoromethylsulfonyloxy)quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-keto-1-p-anisyl-4-triflyloxy-quinoline-3-carboxylic acid Formula: C19H13ClF3NO7S MolecularWeight: 491.82223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C(C2=O)C(=O)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(=C(C2=O)C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H13ClF3NO7S/c1-30-12-5-2-10(3-6-12)9-24-14-7-4-11(20)8-13(14)16(15(17(24)25)18(26)27)31-32(28,29)19(21,22)23/h2-8H,9H2,1H3,(H,26,27)