2,3,4,5-tetrakis(chloranyl)-6-[[3-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexylsulfonyloxy]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2,3,4,5-tetrakis(chloranyl)-6-[[3-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexylsulfonyloxy]phenyl]carbamoyl]benzoic acid Openeye Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyloxy)phenyl]carbamoyl]benzoic acid CAS Name: 2,3,4,5-tetrachloro-6-[oxo-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyloxy)anilino]methyl]benzoic acid IUPAC Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyloxy)phenyl]carbamoyl]benzoic acid Traditional Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyloxy)phenyl]carbamoyl]benzoic acid Formula: C20H6Cl4F13NO6S MolecularWeight: 777.120982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H6Cl4F13NO6S/c21-9-7(8(14(40)41)10(22)12(24)11(9)23)13(39)38-5-2-1-3-6(4-5)44-45(42,43)20(36,37)18(31,32)16(27,28)15(25,26)17(29,30)19(33,34)35/h1-4H,(H,38,39)(H,40,41)