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

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-triflyl-benzoic acid Formula: C13H9ClF3NO5S MolecularWeight: 383.72747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClF3NO5S/c14-9-5-10(18-6-7-2-1-3-23-7)8(12(19)20)4-11(9)24(21,22)13(15,16)17/h1-5,18H,6H2,(H,19,20)