4-methylbenzaldehyde; tris(2,6-diphenylphenoxy)alumane

Systemtic Name: 4-methylbenzaldehyde; tris(2,6-diphenylphenoxy)alumane Openeye Name: 4-methylbenzaldehyde; tris(2,6-diphenylphenoxy)alumane CAS Name: 4-methylbenzaldehyde; tris(2,6-diphenylphenoxy)alumane IUPAC Name: 4-methylbenzaldehyde; tris(2,6-diphenylphenoxy)alumane Traditional Name: 4-methylbenzaldehyde; tris(2,6-diphenylphenoxy)alumane Formula: C62H47AlO4 MolecularWeight: 883.015718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H14O.C8H8O.Al/c3*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-7-2-4-8(6-9)5-3-7;/h3*1-13,19H;2-6H,1H3;/q;;;;+3/p-3