tris[2,6-bis(4-methylphenyl)phenoxy]alumane

Systemtic Name: tris[2,6-bis(4-methylphenyl)phenoxy]alumane Openeye Name: tris[2,6-bis(p-tolyl)phenoxy]alumane CAS Name: tris[2,6-bis(4-methylphenyl)phenoxy]alumane IUPAC Name: tris[2,6-bis(4-methylphenyl)phenoxy]alumane Traditional Name: tris[2,6-bis(p-tolyl)phenoxy]alumane Formula: C60H51AlO3 MolecularWeight: 847.026678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O[Al](OC4=C(C=CC=C4C5=CC=C(C=C5)C)C6=CC=C(C=C6)C)OC7=C(C=CC=C7C8=CC=C(C=C8)C)C9=CC=C(C=C9)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=C(C=C3)C)O[Al](OC4=C(C=CC=C4C5=CC=C(C=C5)C)C6=CC=C(C=C6)C)OC7=C(C=CC=C7C8=CC=C(C=C8)C)C9=CC=C(C=C9)C

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;/q;;;+3/p-3