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

Systemtic Name: sodium 1,3,7,9-tetratert-butyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C29H42NaO4P MolecularWeight: 508.604911

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1/p-1