4-chloranyl-2-(furan-2-ylmethylamino)-5-(trifluoromethylsulfinyl)benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-(trifluoromethylsulfinyl)benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-(trifluoromethylsulfinyl)benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-(trifluoromethylsulfinyl)benzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-(trifluoromethylsulfinyl)benzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-(trifluoromethylsulfinyl)benzoic acid Formula: C13H9ClF3NO4S MolecularWeight: 367.72807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)C(F)(F)F)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)C(F)(F)F)Cl

InChI

InChI=1S/C13H9ClF3NO4S/c14-9-5-10(18-6-7-2-1-3-22-7)8(12(19)20)4-11(9)23(21)13(15,16)17/h1-5,18H,6H2,(H,19,20)