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

Systemtic Name: aluminum 2-acetyloxy-5-[2,4-bis(fluoranyl)phenyl]benzoate Openeye Name: aluminum 2-acetoxy-5-(2,4-difluorophenyl)benzoate CAS Name: aluminum 2-acetyloxy-5-(2,4-difluorophenyl)benzoate IUPAC Name: aluminum 2-acetyloxy-5-(2,4-difluorophenyl)benzoate Traditional Name: aluminum 2-acetoxy-5-(2,4-difluorophenyl)benzoate Formula: C45H27AlF6O12 MolecularWeight: 900.660637

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].CC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].CC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].CC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].CC(=O)OC1=C(C=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C15H10F2O4.Al/c3*1-8(18)21-14-5-2-9(6-12(14)15(19)20)11-4-3-10(16)7-13(11)17;/h3*2-7H,1H3,(H,19,20);/q;;;+3/p-3