3-[(2-methoxyphenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 3-[(2-methoxyphenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-[(2-methoxyphenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-[(2-methoxyphenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-[(2-methoxyphenyl)methylsulfinyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-o-anisylsulfinyl-5-triflyl-benzoic acid Formula: C16H13F3O6S2 MolecularWeight: 422.39603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CS(=O)C2=CC(=CC(=C2)C(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1CS(=O)C2=CC(=CC(=C2)C(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H13F3O6S2/c1-25-14-5-3-2-4-10(14)9-26(22)12-6-11(15(20)21)7-13(8-12)27(23,24)16(17,18)19/h2-8H,9H2,1H3,(H,20,21)