tris[3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenoxy]alumane

Systemtic Name: tris[3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenoxy]alumane Openeye Name: tris[2,6-bis(2-isopropylphenyl)-3,5-dimethyl-phenoxy]alumane CAS Name: tris[3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenoxy]alumane IUPAC Name: tris[3,5-dimethyl-2,6-bis(2-propan-2-ylphenyl)phenoxy]alumane Traditional Name: tris[3,5-dimethyl-2,6-bis(o-cumenyl)phenoxy]alumane Formula: C78H87AlO3 MolecularWeight: 1099.505118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2=CC=CC=C2C(C)C)O[Al](OC3=C(C(=CC(=C3C4=CC=CC=C4C(C)C)C)C)C5=CC=CC=C5C(C)C)OC6=C(C(=CC(=C6C7=CC=CC=C7C(C)C)C)C)C8=CC=CC=C8C(C)C)C9=CC=CC=C9C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C2=CC=CC=C2C(C)C)O[Al](OC3=C(C(=CC(=C3C4=CC=CC=C4C(C)C)C)C)C5=CC=CC=C5C(C)C)OC6=C(C(=CC(=C6C7=CC=CC=C7C(C)C)C)C)C8=CC=CC=C8C(C)C)C9=CC=CC=C9C(C)C)C

InChI

InChI=1S/3C26H30O.Al/c3*1-16(2)20-11-7-9-13-22(20)24-18(5)15-19(6)25(26(24)27)23-14-10-8-12-21(23)17(3)4;/h3*7-17,27H,1-6H3;/q;;;+3/p-3