2-[5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]-6H-naphthalen-2-yl]ethynyl benzoate

Systemtic Name: 2-[5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]-6H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]-6H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]-6H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]-6H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-[5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]-6H-naphthalen-2-yl]ethynyl ester Formula: C28H21F3O2 MolecularWeight: 446.46035

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C

InChI

InChI=1S/C28H21F3O2/c1-27(2)16-14-23(20-9-11-22(12-10-20)28(29,30)31)24-18-19(8-13-25(24)27)15-17-33-26(32)21-6-4-3-5-7-21/h3-14,18H,16H2,1-2H3