sodium 1,3,7,9-tetratert-butyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: sodium 1,3,7,9-tetratert-butyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C29H42NaO3P MolecularWeight: 492.605511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(O2)[O-])C(C)(C)C)C(C)(C)C)C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(O2)[O-])C(C)(C)C)C(C)(C)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C29H42O3P.Na/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;+1