2-[6-fluoranyl-4-[(2-methyl-4-methylsulfonyl-phenyl)-oxidanyl-methyl]naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-4-[(2-methyl-4-methylsulfonyl-phenyl)-oxidanyl-methyl]naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-[hydroxy-(2-methyl-4-methylsulfonyl-phenyl)methyl]-2-naphthyl]acetic acid CAS Name: 2-[6-fluoro-4-[hydroxy-(2-methyl-4-methylsulfonylphenyl)methyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-fluoro-4-[hydroxy-(2-methyl-4-methylsulfonylphenyl)methyl]naphthalen-2-yl]acetic acid Traditional Name: 2-[6-fluoro-4-[hydroxy-(4-mesyl-2-methyl-phenyl)methyl]-2-naphthyl]acetic acid Formula: C21H19FO5S MolecularWeight: 402.435963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)C(C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)F)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)C(C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)F)O

InChI

InChI=1S/C21H19FO5S/c1-12-7-16(28(2,26)27)5-6-17(12)21(25)19-9-13(10-20(23)24)8-14-3-4-15(22)11-18(14)19/h3-9,11,21,25H,10H2,1-2H3,(H,23,24)