2-[[2-methyl-4-[3-[3-methyl-4-[4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)but-1-ynyl]phenyl]pentan-3-yl]phenoxy]methyl]propane-1,3-diol

Systemtic Name: 2-[[2-methyl-4-[3-[3-methyl-4-[4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)but-1-ynyl]phenyl]pentan-3-yl]phenoxy]methyl]propane-1,3-diol Openeye Name: 2-[[4-[1-ethyl-1-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-ynyl]phenyl]propyl]-2-methyl-phenoxy]methyl]propane-1,3-diol CAS Name: 2-[[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-ynyl]phenyl]pentan-3-yl]phenoxy]methyl]propane-1,3-diol IUPAC Name: 2-[[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-ynyl]phenyl]pentan-3-yl]phenoxy]methyl]propane-1,3-diol Traditional Name: 2-[[4-[1-ethyl-1-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-ynyl]phenyl]propyl]-2-methyl-phenoxy]methyl]propane-1,3-diol Formula: C28H32F6O4 MolecularWeight: 546.541699

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C#CC(C(F)(F)F)(C(F)(F)F)O)C)C2=CC(=C(C=C2)OCC(CO)CO)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C#CC(C(F)(F)F)(C(F)(F)F)O)C)C2=CC(=C(C=C2)OCC(CO)CO)C

InChI

InChI=1S/C28H32F6O4/c1-5-25(6-2,23-9-10-24(19(4)14-23)38-17-20(15-35)16-36)22-8-7-21(18(3)13-22)11-12-26(37,27(29,30)31)28(32,33)34/h7-10,13-14,20,35-37H,5-6,15-17H2,1-4H3