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

Systemtic Name: 2-[6-fluoranyl-3-methyl-4-[(4-methylsulfonylphenyl)-oxidanyl-methyl]naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-[hydroxy-(4-methylsulfonylphenyl)methyl]-3-methyl-2-naphthyl]acetic acid CAS Name: 2-[6-fluoro-4-[hydroxy-(4-methylsulfonylphenyl)methyl]-3-methyl-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-fluoro-4-[hydroxy-(4-methylsulfonylphenyl)methyl]-3-methylnaphthalen-2-yl]acetic acid Traditional Name: 2-[6-fluoro-4-[hydroxy-(4-mesylphenyl)methyl]-3-methyl-2-naphthyl]acetic acid Formula: C21H19FO5S MolecularWeight: 402.435963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=C1C(C3=CC=C(C=C3)S(=O)(=O)C)O)F)CC(=O)O

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=C1C(C3=CC=C(C=C3)S(=O)(=O)C)O)F)CC(=O)O

InChI

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