1,9-ditert-butyl-11-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxalumocine

Systemtic Name: 1,9-ditert-butyl-11-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxalumocine Openeye Name: 1,9-ditert-butyl-11-isobutyl-5H-benzo[d][1,3,2]benzodioxalumocine CAS Name: 1,9-ditert-butyl-11-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxalumocin IUPAC Name: 1,9-ditert-butyl-11-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxalumocine Formula: C25H35AlO2 MolecularWeight: 394.525738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[Al]1OC2=C(CC3=C(O1)C(=CC=C3)C(C)(C)C)C=CC=C2C(C)(C)C

Isomeric SMILES

CC(C)C[Al]1OC2=C(CC3=C(O1)C(=CC=C3)C(C)(C)C)C=CC=C2C(C)(C)C

InChI

InChI=1S/C21H28O2.C4H9.Al/c1-20(2,3)16-11-7-9-14(18(16)22)13-15-10-8-12-17(19(15)23)21(4,5)6;1-4(2)3;/h7-12,22-23H,13H2,1-6H3;4H,1H2,2-3H3;/q;;+2/p-2