11-bromanyl-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine; oxolane

Systemtic Name: 11-bromanyl-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine; oxolane Openeye Name: 11-bromo-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine; tetrahydrofuran CAS Name: 11-bromo-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocin; oxolane IUPAC Name: 11-bromo-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine; oxolane Formula: C33H50AlBrO3 MolecularWeight: 601.633838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[Al](O2)Br)C(C)(C)C)C(C)(C)C)C(C)(C)C.C1CCOC1

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[Al](O2)Br)C(C)(C)C)C(C)(C)C)C(C)(C)C.C1CCOC1

InChI

InChI=1S/C29H44O2.C4H8O.Al.BrH/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12;1-2-4-5-3-1;;/h14-17,30-31H,13H2,1-12H3;1-4H2;;1H/q;;+3;/p-3