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

Systemtic Name: 2-[6-fluoranyl-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]propanoic acid Openeye Name: 2-[6-fluoro-4-(4-methylsulfonylbenzoyl)-2-naphthyl]propanoic acid CAS Name: 2-[6-fluoro-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-naphthalenyl]propanoic acid IUPAC Name: 2-[6-fluoro-4-(4-methylsulfonylbenzoyl)naphthalen-2-yl]propanoic acid Traditional Name: 2-[6-fluoro-4-(4-mesylbenzoyl)-2-naphthyl]propionic acid Formula: C21H17FO5S MolecularWeight: 400.420083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C=C(C=CC2=C1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C2C=C(C=CC2=C1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H17FO5S/c1-12(21(24)25)15-9-14-3-6-16(22)11-18(14)19(10-15)20(23)13-4-7-17(8-5-13)28(2,26)27/h3-12H,1-2H3,(H,24,25)