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HJZ

3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid

Created: 2010-04-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count54
Aromatic Bond Count19
2D diagram of HJZ

Chemical Component Summary

Name3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)3-[2-(4-methylcyclohexyl)phenyl]-5-phenyl-thiophene-2-carboxylic acid
FormulaC24 H24 O2 S
Molecular Weight376.511
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)c3sc(cc3c1c(cccc1)C2CCC(C)CC2)c4ccccc4
SMILESCACTVS3.370C[CH]1CC[CH](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4
SMILESOpenEye OEToolkits1.7.0CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4
Canonical SMILESCACTVS3.370 C[C@H]1CC[C@@H](CC1)c2ccccc2c3cc(sc3C(O)=O)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.7.0 CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4
InChIInChI1.03 InChI=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-
InChIKeyInChI1.03 XAWPFEPCAOCGHU-QAQDUYKDSA-N