1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium 11-oxide

Systemtic Name: 1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium 11-oxide Openeye Name: 1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium 11-oxide CAS Name: 1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium 11-oxide IUPAC Name: 1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium 11-oxide Traditional Name: 1,3,7,9-tetratert-butyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium 11-oxide Formula: C29H42O3P+ MolecularWeight: 469.615741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[P+](=O)O2)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[P+](=O)O2)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H42O3P/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)32-33(30)31-24(18)22(16-20)28(7,8)9/h14-17H,13H2,1-12H3/q+1