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068

Summary
Name:(3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID
Formula:C19 H20 O4
Formal charge:0
Formula weight:312.36 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
OpenEye OEToolkits1.6.1(3S)-5-[4-(4-ethanoylphenyl)phenyl]-3-hydroxy-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2ccc(c1ccc(cc1)CCC(O)CC(=O)O)cc2)C
SMILES_CANONICALCACTVS3.352CC(=O)c1ccc(cc1)c2ccc(CC[C@H](O)CC(O)=O)cc2
SMILESCACTVS3.352CC(=O)c1ccc(cc1)c2ccc(CC[CH](O)CC(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O
SMILESOpenEye OEToolkits1.6.1CC(=O)c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O
InChIInChI1.03InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyInChI1.03QSVVRYPBRVSBDL-SFHVURJKSA-N

227111

数据于2024-11-06公开中

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