4-[2,3-bis(fluoranyl)-4-[6,6,7,7,8,8,9,9,9-nonakis(fluoranyl)nonyl]phenyl]benzoic acid

Systemtic Name: 4-[2,3-bis(fluoranyl)-4-[6,6,7,7,8,8,9,9,9-nonakis(fluoranyl)nonyl]phenyl]benzoic acid Openeye Name: 4-[2,3-difluoro-4-(6,6,7,7,8,8,9,9,9-nonafluorononyl)phenyl]benzoic acid CAS Name: 4-[2,3-difluoro-4-(6,6,7,7,8,8,9,9,9-nonafluorononyl)phenyl]benzoic acid IUPAC Name: 4-[2,3-difluoro-4-(6,6,7,7,8,8,9,9,9-nonafluorononyl)phenyl]benzoic acid Traditional Name: 4-[2,3-difluoro-4-(6,6,7,7,8,8,9,9,9-nonafluorononyl)phenyl]benzoic acid Formula: C22H17F11O2 MolecularWeight: 522.351615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(C=C2)CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(C=C2)CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)C(=O)O

InChI

InChI=1S/C22H17F11O2/c23-16-13(9-10-15(17(16)24)12-5-7-14(8-6-12)18(34)35)4-2-1-3-11-19(25,26)20(27,28)21(29,30)22(31,32)33/h5-10H,1-4,11H2,(H,34,35)