0VQ

(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol


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Chemical Component Summary

Name(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
Identifiers(3E,5E)-6-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]phenyl]-1,1,1-tris(fluoranyl)-2-(trifluoromethyl)octa-3,5-dien-2-ol
FormulaC25 H26 F6 O3
Molecular Weight488.463
TypeNON-POLYMER
Isomeric SMILESCC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO
InChIInChI=1S/C25H26F6O3/c1-2-19(7-4-12-23(34,24(26,27)28)25(29,30)31)20-6-3-5-17(13-20)8-9-18-10-11-21(15-32)22(14-18)16-33/h3-7,10-14,32-34H,2,8-9,15-16H2,1H3/b12-4+,19-7+
InChIKeyGDMSFPQHUTVPQR-XFNPMVETSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count61
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL2171447
PubChem 59263691
ChEMBL CHEMBL2171447