1,3,7,9-tetrakis(2-phenylpropan-2-yl)-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine

Systemtic Name: 1,3,7,9-tetrakis(2-phenylpropan-2-yl)-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine Openeye Name: 11-isopropoxy-1,3,7,9-tetrakis(1-methyl-1-phenyl-ethyl)-5H-benzo[d][1,3,2]benzodioxalumocine CAS Name: 1,3,7,9-tetrakis(2-phenylpropan-2-yl)-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocin IUPAC Name: 1,3,7,9-tetrakis(2-phenylpropan-2-yl)-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine Formula: C104H114Al2O6 MolecularWeight: 1513.977436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O[Al]1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7.CC(C)O[Al]1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7

Isomeric SMILES

CC(C)O[Al]1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7.CC(C)O[Al]1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7

InChI

InChI=1S/2C49H52O2.2C3H7O.2Al/c2*1-46(2,36-21-13-9-14-22-36)40-30-34(44(50)42(32-40)48(5,6)38-25-17-11-18-26-38)29-35-31-41(47(3,4)37-23-15-10-16-24-37)33-43(45(35)51)49(7,8)39-27-19-12-20-28-39;2*1-3(2)4;;/h2*9-28,30-33,50-51H,29H2,1-8H3;2*3H,1-2H3;;/q;;2*-1;2*+3/p-4