2-[6-fluoranyl-4-(3-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-4-(3-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-(3-methylsulfonylbenzoyl)-2-naphthyl]acetic acid CAS Name: 2-[6-fluoro-4-[(3-methylsulfonylphenyl)-oxomethyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-fluoro-4-(3-methylsulfonylbenzoyl)naphthalen-2-yl]acetic acid Traditional Name: 2-[6-fluoro-4-(3-mesylbenzoyl)-2-naphthyl]acetic acid Formula: C20H15FO5S MolecularWeight: 386.393503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FO5S/c1-27(25,26)16-4-2-3-14(10-16)20(24)18-8-12(9-19(22)23)7-13-5-6-15(21)11-17(13)18/h2-8,10-11H,9H2,1H3,(H,22,23)