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HJZ

Summary
Name:3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
Formula:C24 H24 O2 S
Formal charge:0
Formula weight:376.511 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
OpenEye OEToolkits1.7.03-[2-(4-methylcyclohexyl)phenyl]-5-phenyl-thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c3sc(cc3c1c(cccc1)C2CCC(C)CC2)c4ccccc4
SMILES_CANONICALCACTVS3.370C[C@H]1CC[C@@H](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4
SMILESCACTVS3.370C[CH]1CC[CH](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.0CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4
SMILESOpenEye OEToolkits1.7.0CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4
InChIInChI1.03InChI=1S/C24H24O2S/c1-16-11-13-17(14-12-16)19-9-5-6-10-20(19)21-15-22(27-23(21)24(25)26)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3,(H,25,26)/t16-,17-
InChIKeyInChI1.03XAWPFEPCAOCGHU-QAQDUYKDSA-N

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PDB entries from 2026-02-04

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