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

Systemtic Name: 2,3,4,5-tetrakis(chloranyl)-6-[[3-[1,1,2,2,3,3,4,4,5,5,5-undecakis(fluoranyl)pentylsulfonyloxy]phenyl]carbamoyl]benzoic acid Openeye Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyloxy)phenyl]carbamoyl]benzoic acid CAS Name: 2,3,4,5-tetrachloro-6-[oxo-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyloxy)anilino]methyl]benzoic acid IUPAC Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyloxy)phenyl]carbamoyl]benzoic acid Traditional Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyloxy)phenyl]carbamoyl]benzoic acid Formula: C19H6Cl4F11NO6S MolecularWeight: 727.113475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(C(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(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/C19H6Cl4F11NO6S/c20-9-7(8(14(37)38)10(21)12(23)11(9)22)13(36)35-5-2-1-3-6(4-5)41-42(39,40)19(33,34)17(28,29)15(24,25)16(26,27)18(30,31)32/h1-4H,(H,35,36)(H,37,38)