SpectraBase Compound ID | AO7EGRCNK8d |
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InChI | InChI=1S/2C24H20P.C16H35N4O4P2S4/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11(2)21-25(29,22-12(3)4)19-15(27)17-9-10-18-16(28)20-26(30,23-13(5)6)24-14(7)8/h2*1-20H;11-14H,9-10H2,1-8H3,(H3-,17,18,19,27,28,29,30)/q2*+1;-1/p-1 |
InChIKey | SUPUSHAZAYAACS-UHFFFAOYSA-M |
Mol Weight | 1215.46 g/mol |
Molecular Formula | C64H74N4O4P4S4 |
Exact Mass | 1214.35434 g/mol |
SpectraBase Spectrum ID | 37bUDGFWV5m |
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Name | Tetraphenylphosphonium (Z)-N'-(diisopropoxyphosphorothioyl)-N-(2-(3-(diisopropoxysulfido-LAMBDA5-phosphaneylidene)thioureido)ethyl)carbamimidothioate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 1214.354339563 u |
Formula | C64H74N4O4P4S4 |
InChI | InChI=1S/2C24H20P.C16H35N4O4P2S4/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-11(2)21-25(29,22-12(3)4)19-15(27)17-9-10-18-16(28)20-26(30,23-13(5)6)24-14(7)8/h2*1-20H;11-14H,9-10H2,1-8H3,(H3-,17,18,19,27,28,29,30)/q2*+1;-1/p-1 |
InChIKey | SUPUSHAZAYAACS-UHFFFAOYSA-M |
Molecular Weight | 1215.455 g/mol |
SMILES | C1([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1.C(NCCN\C([S-])=N\P(OC(C)C)(=S)OC(C)C)(N=P(OC(C)C)([S-])OC(C)C)=S.C1([P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1 |