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Reference substance information

IUPAC name:
sodium 5,7,13,15-tetra-tert-butyl-10-oxo-9,11-dioxa-10lambda5-phosphatricyclo[10.4.0.0^{3,8}]hexadeca-1(12),3,5,7,13,15-hexaen-10-olate
Synonyms
Names:
12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt
Identifier:
CAS number
85209-91-2
Identifier:
IUPAC name
2,4,8,10-Tetra(tert-butyl)-6-hydroxy-12H-dibenzo[d,g][1,3,2]dioxaphosphocin 6-oxide, sodium salt
sodium;1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

CAS information

CAS number:
85209-91-2

Molecular and structural information

Molecular formula:
C29H43O4P.Na
Molecular weight:
509.612
SMILES notation:
[Na+].CC(C)(C)c1cc2Cc3cc(cc(c3OP(=O)(O)Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChl:
InChI=1/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
Structural formula:
Chemical structure