aluminum 4-bromanyl-2,6-diphenyl-phenolate

Systemtic Name: aluminum 4-bromanyl-2,6-diphenyl-phenolate Openeye Name: aluminum 4-bromo-2,6-diphenyl-phenolate CAS Name: aluminum 4-bromo-2,6-diphenylphenolate IUPAC Name: aluminum 4-bromo-2,6-diphenylphenolate Traditional Name: aluminum 4-bromo-2,6-diphenyl-phenolate Formula: C54H36AlBr3O3 MolecularWeight: 999.555378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3=CC=CC=C3)Br.C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3=CC=CC=C3)Br.C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3=CC=CC=C3)Br.[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3=CC=CC=C3)Br.C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3=CC=CC=C3)Br.C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3=CC=CC=C3)Br.[Al+3]

InChI

InChI=1S/3C18H13BrO.Al/c3*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;/h3*1-12,20H;/q;;;+3/p-3