158722-22-6 Purity
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Specification
The molecular formula is C24H24O3.
The molecular weight is 360.4 g/mol.
The IUPAC name is 4-[4-(4-pentoxyphenyl)phenyl]benzoic acid.
The InChI is InChI=1S/C24H24O3/c1-2-3-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25)26/h5-16H,2-4,17H2,1H3,(H,25,26).
The InChIKey is APIUMVXKBCYBSC-UHFFFAOYSA-N.
The canonical SMILES is CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O.
The CAS number is 158938-08-0.
The EC number is 691-410-4.
The XLogP3 value is 7.4.
Yes, it is a canonicalized compound.
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