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

Systemtic Name: 2,3,4,5-tetrakis(chloranyl)-6-[[3-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyloxy]phenyl]carbamoyl]benzoic acid Openeye Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]carbamoyl]benzoic acid CAS Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)anilino]-oxomethyl]benzoic acid IUPAC Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]carbamoyl]benzoic acid Traditional Name: 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]carbamoyl]benzoic acid Formula: C18H6Cl4F9NO6S MolecularWeight: 677.105969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(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(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/C18H6Cl4F9NO6S/c19-9-7(8(14(34)35)10(20)12(22)11(9)21)13(33)32-5-2-1-3-6(4-5)38-39(36,37)18(30,31)16(25,26)15(23,24)17(27,28)29/h1-4H,(H,32,33)(H,34,35)