1-tert-butyl-4-[1,1,1-tris(fluoranyl)-5-(3-phenoxyphenyl)pentan-2-yl]benzene

Systemtic Name: 1-tert-butyl-4-[1,1,1-tris(fluoranyl)-5-(3-phenoxyphenyl)pentan-2-yl]benzene Openeye Name: 1-tert-butyl-4-[4-(3-phenoxyphenyl)-1-(trifluoromethyl)butyl]benzene CAS Name: 1-tert-butyl-4-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]benzene IUPAC Name: 1-tert-butyl-4-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]benzene Traditional Name: 1-tert-butyl-4-[4-(3-phenoxyphenyl)-1-(trifluoromethyl)butyl]benzene Formula: C27H29F3O MolecularWeight: 426.51377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CCCC2=CC(=CC=C2)OC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CCCC2=CC(=CC=C2)OC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C27H29F3O/c1-26(2,3)22-17-15-21(16-18-22)25(27(28,29)30)14-8-10-20-9-7-13-24(19-20)31-23-11-5-4-6-12-23/h4-7,9,11-13,15-19,25H,8,10,14H2,1-3H3