(4S)-4-(4-fluorophenyl)-4,5,5-trimethyl-hex-2-ynoic acid

Systemtic Name: (4S)-4-(4-fluorophenyl)-4,5,5-trimethyl-hex-2-ynoic acid Openeye Name: (4S)-4-(4-fluorophenyl)-4,5,5-trimethyl-hex-2-ynoic acid CAS Name: (4S)-4-(4-fluorophenyl)-4,5,5-trimethyl-2-hexynoic acid IUPAC Name: (4S)-4-(4-fluorophenyl)-4,5,5-trimethylhex-2-ynoic acid Traditional Name: (4S)-4-(4-fluorophenyl)-4,5,5-trimethyl-hex-2-ynoic acid Formula: C15H17FO2 MolecularWeight: 248.292683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@](C#CC(=O)O)(C1=CC=C(C=C1)F)C(C)(C)C

InChI

InChI=1S/C15H17FO2/c1-14(2,3)15(4,10-9-13(17)18)11-5-7-12(16)8-6-11/h5-8H,1-4H3,(H,17,18)/t15-/m1/s1