aluminum 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoate

Systemtic Name: aluminum 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoate Openeye Name: aluminum 5-(2,4-difluorophenyl)-2-hydroxy-benzoate CAS Name: aluminum 5-(2,4-difluorophenyl)-2-hydroxybenzoate IUPAC Name: aluminum 5-(2,4-difluorophenyl)-2-hydroxybenzoate Traditional Name: aluminum 5-(2,4-difluorophenyl)-2-hydroxy-benzoate Formula: C39H21AlF6O9 MolecularWeight: 774.550597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O.C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O.C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O.[Al+3]

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O.C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O.C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)[O-])O.[Al+3]

InChI

InChI=1S/3C13H8F2O3.Al/c3*14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h3*1-6,16H,(H,17,18);/q;;;+3/p-3