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YA5

Summary
Name:(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:C16 H10 F N O6 S
Formal charge:0
Formula weight:363.317 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
OpenEye OEToolkits2.0.78-(2-fluorosulfonyloxyphenyl)-4-oxidanylidene-1~{H}-quinoline-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FS(=O)(=O)Oc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O
InChIInChI1.06InChI=1S/C16H10FNO6S/c17-25(22,23)24-13-7-2-1-4-9(13)10-5-3-6-11-14(10)18-8-12(15(11)19)16(20)21/h1-8H,(H,18,19)(H,20,21)
InChIKeyInChI1.06OTACFQKCZJQCRU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1=CNc2c(cccc2c3ccccc3O[S](F)(=O)=O)C1=O
SMILESCACTVS3.385OC(=O)C1=CNc2c(cccc2c3ccccc3O[S](F)(=O)=O)C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)OS(=O)(=O)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)c2cccc3c2NC=C(C3=O)C(=O)O)OS(=O)(=O)F

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PDB entries from 2026-02-11

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