4,4,4-tris(fluoranyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol

Systemtic Name: 4,4,4-tris(fluoranyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol Openeye Name: 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol CAS Name: 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol IUPAC Name: 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol Traditional Name: 4,4,4-trifluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]butane-1,3-diol Formula: C12H9F9O2 MolecularWeight: 356.184289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(CC(C(F)(F)F)(C(F)(F)F)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(CC(C(F)(F)F)(C(F)(F)F)O)O

InChI

InChI=1S/C12H9F9O2/c13-10(14,15)7-3-1-2-6(4-7)8(22)5-9(23,11(16,17)18)12(19,20)21/h1-4,8,22-23H,5H2