1,3,7,9-tetratert-butyl-11-oxidanidyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-ol; zirconium

Systemtic Name: 1,3,7,9-tetratert-butyl-11-oxidanidyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-ol; zirconium Openeye Name: 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-ol; zirconium CAS Name: 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-ol; zirconium IUPAC Name: 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-ol; zirconium Traditional Name: 1,3,7,9-tetratert-butyl-11-keto-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin-5-ol; zirconium Formula: C29H42O5PZr- MolecularWeight: 592.838541

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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.[Zr]

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.[Zr]

InChI

InChI=1S/C29H43O5P.Zr/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;/h13-16,23,30H,1-12H3,(H,31,32);/p-1