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SWF

Summary
Name:S-WARFARIN
Formula:C19 H16 O4
Formal charge:0
Formula weight:308.328 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one
OpenEye OEToolkits1.5.04-hydroxy-3-[(1S)-3-oxo-1-phenyl-butyl]chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3
SMILES_CANONICALCACTVS3.341CC(=O)C[C@@H](c1ccccc1)C2=C(O)c3ccccc3OC2=O
SMILESCACTVS3.341CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O
SMILESOpenEye OEToolkits1.5.0CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O
InChIInChI1.03InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1
InChIKeyInChI1.03PJVWKTKQMONHTI-HNNXBMFYSA-N

227344

PDB entries from 2024-11-13

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