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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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