2-[4-[2-[8,8-dimethyl-5-oxidanylidene-4-(trifluoromethylsulfonyloxy)-6,7-dihydronaphthalen-2-yl]ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[8,8-dimethyl-5-oxidanylidene-4-(trifluoromethylsulfonyloxy)-6,7-dihydronaphthalen-2-yl]ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4,4-dimethyl-1-oxo-8-(trifluoromethylsulfonyloxy)tetralin-6-yl]ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[8,8-dimethyl-5-oxo-4-(trifluoromethylsulfonyloxy)-6,7-dihydronaphthalen-2-yl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[8,8-dimethyl-5-oxo-4-(trifluoromethylsulfonyloxy)-6,7-dihydronaphthalen-2-yl]ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(1-keto-4,4-dimethyl-8-triflyloxy-tetralin-6-yl)ethynyl]phenyl]acetic acid Formula: C23H19F3O6S MolecularWeight: 480.45357

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=C(C=C2OS(=O)(=O)C(F)(F)F)C#CC3=CC=C(C=C3)CC(=O)O)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=C(C=C2OS(=O)(=O)C(F)(F)F)C#CC3=CC=C(C=C3)CC(=O)O)C

InChI

InChI=1S/C23H19F3O6S/c1-22(2)10-9-18(27)21-17(22)11-16(12-19(21)32-33(30,31)23(24,25)26)8-5-14-3-6-15(7-4-14)13-20(28)29/h3-4,6-7,11-12H,9-10,13H2,1-2H3,(H,28,29)