aluminum; 2,6-bis(4-methylphenyl)phenol

Systemtic Name: aluminum; 2,6-bis(4-methylphenyl)phenol Openeye Name: aluminum; 2,6-bis(p-tolyl)phenol CAS Name: aluminum; 2,6-bis(4-methylphenyl)phenol IUPAC Name: aluminum; 2,6-bis(4-methylphenyl)phenol Traditional Name: aluminum; 2,6-bis(p-tolyl)phenol Formula: C60H54AlO3 MolecularWeight: 850.050498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O.CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O.CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O.[Al]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O.CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O.CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O.[Al]

InChI

InChI=1S/3C20H18O.Al/c3*1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21)17-12-8-15(2)9-13-17;/h3*3-13,21H,1-2H3;