phenyl-[4-[4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-but-1-ynyl]phenyl]methanone

Systemtic Name: phenyl-[4-[4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-but-1-ynyl]phenyl]methanone Openeye Name: phenyl-[4-(4,4,4-trifluoro-3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: phenyl-[4-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone IUPAC Name: phenyl-[4-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: phenyl-[4-(4,4,4-trifluoro-3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C18H13F3O2 MolecularWeight: 318.28983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CC(C#CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C18H13F3O2/c1-17(23,18(19,20)21)12-11-13-7-9-15(10-8-13)16(22)14-5-3-2-4-6-14/h2-10,23H,1H3