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

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

Systemtic Name:1,3,7,9-tetratert-butyl-5-methyl-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine
Openeye Name:1,3,7,9-tetratert-butyl-11-isopropoxy-5-methyl-5H-benzo[d][1,3,2]benzodioxalumocine
CAS Name:1,3,7,9-tetratert-butyl-5-methyl-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocin
IUPAC Name:1,3,7,9-tetratert-butyl-5-methyl-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine
Formula: C33H51AlO3
MolecularWeight: 522.737778
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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=CC(=C2O[Al](OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)OC(C)C)C(C)(C)C)C(C)(C)C


Isomeric SMILES

CC1C2=CC(=CC(=C2O[Al](OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)OC(C)C)C(C)(C)C)C(C)(C)C


InChI

InChI=1S/C30H46O2.C3H7O.Al/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13;1-3(2)4;/h14-18,31-32H,1-13H3;3H,1-2H3;/q;-1;+3/p-2


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