Account 4-(2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidenE)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3h-indol-1-ium-1-yl)butane-1-sulfonate
- Catalog No. :
- ACVUKP831
- CAS No. :
- 2408025-28-3
- Molecular Formula :
- C38H47ClN2O6S2
- Molecular Weight :
- 727.39
IUPAC Name:4-((E)-2-((E)-2-(2-chloro-3-((E)-2-(3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | 4-(2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidenE)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3h-indol-1-ium-1-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-((E)-2-((E)-2-(2-chloro-3-((E)-2-(3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
| Molecular Formula | C38H47ClN2O6S2 |
| Molecular Weight | 727.39 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C2=C(Cl)/C(CCC2)=C/C=C3N(CCCCS(=O)(O)=O)C4=C(C=CC=C4)C/3(C)C)C(C5=C1C=CC=C5)(C)C)([O-])=O |
| InChI Key | HDEMJFRQENFOCB-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[(1E)-2-[(3E)-2-chloro-3-[(2E)-2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)- |
| CAS No. | 2408025-28-3 |
Synthetic Route by SureRoute
2. ACVUKP831 Molecular Building Block Synthetic Route
Sodium 4-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
4-(2-(2-(2-Chloro-3-(2-(3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate
2-(2-(2-Chloro-3-(2-(3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide