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

Systemtic Name: 1,9-ditert-butyl-3,7-dimethyl-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine Openeye Name: 1,9-ditert-butyl-11-isopropoxy-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxalumocine CAS Name: 1,9-ditert-butyl-3,7-dimethyl-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocin IUPAC Name: 1,9-ditert-butyl-3,7-dimethyl-11-propan-2-yloxy-5H-benzo[d][1,3,2]benzodioxalumocine Formula: C52H74Al2O6 MolecularWeight: 849.103436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[Al](O2)OC(C)C)C(C)(C)C)C)C(C)(C)C.CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[Al](O2)OC(C)C)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[Al](O2)OC(C)C)C(C)(C)C)C)C(C)(C)C.CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[Al](O2)OC(C)C)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/2C23H32O2.2C3H7O.2Al/c2*1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;2*1-3(2)4;;/h2*9-12,24-25H,13H2,1-8H3;2*3H,1-2H3;;/q;;2*-1;2*+3/p-4