4-[2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[2-(4,4-dimethyl-1-oxo-tetralin-6-yl)ethynyl]-2-fluoro-benzoic acid CAS Name: 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluorobenzoic acid IUPAC Name: 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-2-fluorobenzoic acid Traditional Name: 2-fluoro-4-[2-(1-keto-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoic acid Formula: C21H17FO3 MolecularWeight: 336.356283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)C

InChI

InChI=1S/C21H17FO3/c1-21(2)10-9-19(23)15-7-5-13(11-17(15)21)3-4-14-6-8-16(20(24)25)18(22)12-14/h5-8,11-12H,9-10H2,1-2H3,(H,24,25)