SpectraBase Compound ID | I8YhvYx7fX6 |
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InChI | InChI=1S/C83H88O17P2S4.4Na/c1-81(2,3)61-53-75-79(77(55-61)101(67-33-25-63(26-34-67)96-49-9-13-57-17-41-71(42-18-57)103(84,85)86)68-35-27-64(28-36-68)97-50-10-14-58-19-43-72(44-20-58)104(87,88)89)100-80-76(83(75,7)8)54-62(82(4,5)6)56-78(80)102(69-37-29-65(30-38-69)98-51-11-15-59-21-45-73(46-22-59)105(90,91)92)70-39-31-66(32-40-70)99-52-12-16-60-23-47-74(48-24-60)106(93,94)95;;;;/h17-48,53-56H,9-16,49-52H2,1-8H3,(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95);;;;/q;4*+1/p-4 |
InChIKey | QOWZVRJLDHBDJG-UHFFFAOYSA-J |
Mol Weight | 1635.71460112 g/mol |
Molecular Formula | C83H84Na4O17P2S4 |
Exact Mass | 1634.365737 g/mol |
SpectraBase Spectrum ID | GbbOAGFSZJU |
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Name | 2,7-DI-TERT.-BUTYL-4,5-BIS-[DI-[PARA-(3-PARA-SULFONATOPHENYLPROPYL)-PHENOXY]-PHOSPHINO]-9,9-DIMETHYLXANTHENE |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C83H84Na4O17P2S4 |
InChI | InChI=1S/C83H88O17P2S4.4Na/c1-81(2,3)61-53-75-79(77(55-61)101(67-33-25-63(26-34-67)96-49-9-13-57-17-41-71(42-18-57)103(84,85)86)68-35-27-64(28-36-68)97-50-10-14-58-19-43-72(44-20-58)104(87,88)89)100-80-76(83(75,7)8)54-62(82(4,5)6)56-78(80)102(69-37-29-65(30-38-69)98-51-11-15-59-21-45-73(46-22-59)105(90,91)92)70-39-31-66(32-40-70)99-52-12-16-60-23-47-74(48-24-60)106(93,94)95;;;;/h17-48,53-56H,9-16,49-52H2,1-8H3,(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95);;;;/q;4*+1/p-4 |
InChIKey | QOWZVRJLDHBDJG-UHFFFAOYSA-J |
Literature Reference Author | M.S.GOEDHEIJT,B.E.HANSON,J.N.H.REEK,P.C.J.KAMER,P.W.N.M.V.LE EUWEN |
Literature Reference Citation | J.AM.CHEM.SOC.,122,1650(2000) |
Literature Reference DOI | 10.1021/ja9925610 |
Solvent | CD3OD |
Source File Reference | UWSI9399 |