aluminum; 2,6-bis[3,4,5-tris(fluoranyl)phenyl]phenol

Systemtic Name: aluminum; 2,6-bis[3,4,5-tris(fluoranyl)phenyl]phenol Openeye Name: aluminum; 2,6-bis(3,4,5-trifluorophenyl)phenol CAS Name: aluminum; 2,6-bis(3,4,5-trifluorophenyl)phenol IUPAC Name: aluminum; 2,6-bis(3,4,5-trifluorophenyl)phenol Traditional Name: aluminum; 2,6-bis(3,4,5-trifluorophenyl)phenol Formula: C54H24AlF18O3 MolecularWeight: 1089.719356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)O)C3=CC(=C(C(=C3)F)F)F.C1=CC(=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)O)C3=CC(=C(C(=C3)F)F)F.C1=CC(=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)O)C3=CC(=C(C(=C3)F)F)F.[Al]

Isomeric SMILES

C1=CC(=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)O)C3=CC(=C(C(=C3)F)F)F.C1=CC(=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)O)C3=CC(=C(C(=C3)F)F)F.C1=CC(=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)O)C3=CC(=C(C(=C3)F)F)F.[Al]

InChI

InChI=1S/3C18H8F6O.Al/c3*19-12-4-8(5-13(20)16(12)23)10-2-1-3-11(18(10)25)9-6-14(21)17(24)15(22)7-9;/h3*1-7,25H;