ethyl 5,6-bis(fluoranyl)-4-oxidanyl-2-sulfanyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 5,6-bis(fluoranyl)-4-oxidanyl-2-sulfanyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 5,6-difluoro-4-hydroxy-2-sulfanyl-quinolin-1-ium-3-carboxylate CAS Name: 5,6-difluoro-4-hydroxy-2-mercapto-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5,6-difluoro-4-hydroxy-2-sulfanylquinolin-1-ium-3-carboxylate Traditional Name: 5,6-difluoro-4-hydroxy-2-mercapto-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C12H10F2NO3S+ MolecularWeight: 286.274506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2F)F)[NH+]=C1S)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2F)F)[NH+]=C1S)O

InChI

InChI=1S/C12H9F2NO3S/c1-2-18-12(17)8-10(16)7-6(15-11(8)19)4-3-5(13)9(7)14/h3-4H,2H2,1H3,(H2,15,16,19)/p+1