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

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

Systemtic Name:11-bromanyl-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine
Openeye Name:11-bromo-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine
CAS Name:11-bromo-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocin
IUPAC Name:11-bromo-1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxalumocine
Formula: C29H42AlBrO2
MolecularWeight: 529.528118
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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


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


InChI

InChI=1S/C29H44O2.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;;/h14-17,30-31H,13H2,1-12H3;;1H/q;+3;/p-3


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