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

Systemtic Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-6-(trifluoromethyl)naphthalen-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-6-(trifluoromethyl)-2-naphthyl]acetic acid CAS Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-6-(trifluoromethyl)-2-naphthalenyl]acetic acid IUPAC Name: 2-[4-[(4-methylsulfonylphenyl)methyl]-6-(trifluoromethyl)naphthalen-2-yl]acetic acid Traditional Name: 2-[4-(4-mesylbenzyl)-6-(trifluoromethyl)-2-naphthyl]acetic acid Formula: C21H17F3O4S MolecularWeight: 422.41749

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC2=C3C=C(C=CC3=CC(=C2)CC(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC2=C3C=C(C=CC3=CC(=C2)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C21H17F3O4S/c1-29(27,28)18-6-2-13(3-7-18)8-16-10-14(11-20(25)26)9-15-4-5-17(12-19(15)16)21(22,23)24/h2-7,9-10,12H,8,11H2,1H3,(H,25,26)