2-[4-(4-methylsulfonylphenyl)carbonyl-6-(trifluoromethyl)naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methylsulfonylphenyl)carbonyl-6-(trifluoromethyl)naphthalen-2-yl]ethanoic acid Openeye Name: 2-[4-(4-methylsulfonylbenzoyl)-6-(trifluoromethyl)-2-naphthyl]acetic acid CAS Name: 2-[4-[(4-methylsulfonylphenyl)-oxomethyl]-6-(trifluoromethyl)-2-naphthalenyl]acetic acid IUPAC Name: 2-[4-(4-methylsulfonylbenzoyl)-6-(trifluoromethyl)naphthalen-2-yl]acetic acid Traditional Name: 2-[4-(4-mesylbenzoyl)-6-(trifluoromethyl)-2-naphthyl]acetic acid Formula: C21H15F3O5S MolecularWeight: 436.40101

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C21H15F3O5S/c1-30(28,29)16-6-3-13(4-7-16)20(27)18-9-12(10-19(25)26)8-14-2-5-15(11-17(14)18)21(22,23)24/h2-9,11H,10H2,1H3,(H,25,26)