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8MR

Summary
Name:(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID
Formula:C11 H12 F2 O5 S
Formal charge:0
Formula weight:294.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid
OpenEye OEToolkits1.5.0(3R)-4,4-difluoro-3-(4-methoxyphenyl)sulfonyl-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)C(S(=O)(=O)c1ccc(OC)cc1)CC(=O)O
SMILES_CANONICALCACTVS3.341COc1ccc(cc1)[S](=O)(=O)[C@H](CC(O)=O)C(F)F
SMILESCACTVS3.341COc1ccc(cc1)[S](=O)(=O)[CH](CC(O)=O)C(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)C(CC(=O)O)C(F)F
InChIInChI1.03InChI=1S/C11H12F2O5S/c1-18-7-2-4-8(5-3-7)19(16,17)9(11(12)13)6-10(14)15/h2-5,9,11H,6H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyInChI1.03OBQLOVWIRUXBAW-SECBINFHSA-N

246704

PDB entries from 2025-12-24

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