| SpectraBase Spectrum ID |
2CaecHSDOJJ |
| Name |
(1RS,2RS,5SR,2E,4E)-Tricarbonyl-{[.eta(4).-(2->5)-1-cyanohexa-3,5-dienyl]-(2',4',6'-trichlorobenzoate}-iron |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H10Cl3FeNO5 |
| InChI |
InChI=1S/C14H10Cl3NO2.3CO.Fe/c1-2-3-4-5-10(8-18)20-14(19)13-11(16)6-9(15)7-12(13)17;3*1-2;/h2-7,10H,1H3;;;;/t10-;;;;/m1..../s1 |
| InChIKey |
XNSBEIMTMRYOCH-USOZLSCGSA-N |
| Molecular Weight |
470.473 g/mol |
| SMILES |
C12[Fe]3(C2[C@@](OC(c2c(cc(cc2Cl)Cl)Cl)=O)(C#N)[H])(C1C3C)(C#[O])(C#[O])C#[O] |
| SPLASH |
splash10-0a4r-0905000000-ea2e473c8fadabd03c00 |
| Source of Spectrum |
C-121-9150-3c |
| Wiley ID |
1700333 |
![(1RS,2RS,5SR,2E,4E)-Tricarbonyl-{[.eta(4).-(2->5)-1-cyanohexa-3,5-dienyl]-(2',4',6'-trichlorobenzoate}-iron](/api/spectrum/2CaecHSDOJJ/structure.png?h=300&w=458 "(1RS,2RS,5SR,2E,4E)-Tricarbonyl-{[.eta(4).-(2->5)-1-cyanohexa-3,5-dienyl]-(2',4',6'-trichlorobenzoate}-iron")
