| SpectraBase Spectrum ID |
OuHOegEA16 |
| Name |
(Z)-3-[5-[(Z)-3-Ethoxy-3-keto-2-(triphenylphosphoranylideneamino)prop-1-enyl]-2-furyl]-2-(triphenylphosphoranylideneamino)acrylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
814.272546516 u |
| Formula |
C50H44N2O5P2 |
| InChI |
InChI=1S/C50H44N2O5P2/c1-3-55-49(53)47(51-58(41-23-11-5-12-24-41,42-25-13-6-14-26-42)43-27-15-7-16-28-43)37-39-35-36-40(57-39)38-48(50(54)56-4-2)52-59(44-29-17-8-18-30-44,45-31-19-9-20-32-45)46-33-21-10-22-34-46/h5-38H,3-4H2,1-2H3/b47-37-,48-38- |
| InChIKey |
GABSMDZHCKOMKG-RBZFYICUSA-N |
| Molecular Weight |
814.859 g/mol |
| SMILES |
C1(P(=N\C(=C/C=2OC(\C=C\(N=P(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C(=O)OCC)=CC2)C(=O)OCC)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1 |
![(Z)-3-[5-[(Z)-3-ethoxy-3-keto-2-(triphenylphosphoranylideneamino)prop-1-enyl]-2-furyl]-2-(triphenylphosphoranylideneamino)acrylic acid ethyl ester](/api/spectrum/OuHOegEA16/structure.png?h=300&w=458 "(Z)-3-[5-[(Z)-3-ethoxy-3-keto-2-(triphenylphosphoranylideneamino)prop-1-enyl]-2-furyl]-2-(triphenylphosphoranylideneamino)acrylic acid ethyl ester")
