aluminum 1,3,7,9-tetratert-butyl-11-oxidanidyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-olate hydroxide

Systemtic Name: aluminum 1,3,7,9-tetratert-butyl-11-oxidanidyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-olate hydroxide Openeye Name: aluminum 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-olate hydroxide CAS Name: aluminum 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-olate hydroxide IUPAC Name: aluminum 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-olate hydroxide Traditional Name: aluminum 1,3,7,9-tetratert-butyl-11-keto-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-olate hydroxide Formula: C29H42AlO6P MolecularWeight: 544.595479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C.[OH-].[Al+3]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C.[OH-].[Al+3]

InChI

InChI=1S/C29H42O5P.Al.H2O/c1-26(2,3)17-13-19-23(30)20-14-18(27(4,5)6)16-22(29(10,11)12)25(20)34-35(31,32)33-24(19)21(15-17)28(7,8)9;;/h13-16,23H,1-12H3,(H,31,32);;1H2/q-1;+3;/p-2