aluminum 2,6-diphenylphenolate

Systemtic Name: aluminum 2,6-diphenylphenolate Openeye Name: aluminum 2,6-diphenylphenolate CAS Name: aluminum 2,6-diphenylphenolate IUPAC Name: aluminum 2,6-diphenylphenolate Traditional Name: aluminum 2,6-diphenylphenolate Formula: C54H39AlO3 MolecularWeight: 762.867198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H14O.Al/c3*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;/h3*1-13,19H;/q;;;+3/p-3