Account 2-(2-(2-Chloro-3-(2-(1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium
- Catalog No. :
- ACSCAB713
- CAS No. :
- 2374274-84-5
- Molecular Formula :
- C58H82ClN4O6+
- Molecular Weight :
- 966.77
IUPAC Name:2-((E)-2-((E)-2-chloro-3-(2-((E)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium
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Product Information
| Product Name | 2-(2-(2-Chloro-3-(2-(1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium |
|---|---|
| IUPAC Name | 2-((E)-2-((E)-2-chloro-3-(2-((E)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium |
| Molecular Formula | C58H82ClN4O6+ |
| Molecular Weight | 966.77 |
| SMILES | O=C(OC)CNC(=O)CCCCCCCCCCN1C=2C=CC=CC2C(C1=CC=C3C(Cl)=C(C=CC4=[N+](C=5C=CC=CC5C4(C)C)CCCCCCCCCCC(=O)NCC(=O)OC)CCC3)(C)C |
| InChI Key | QGHKLBSKGIEVIM-UHFFFAOYSA-O |
| Synonym | IR-58 |
| CAS No. | 2374274-84-5 |
Synthetic Route by SureRoute
2. ACSCAB713 Molecular Building Block Synthetic Route
IR-58
IR-34
1-(5-Carboxypentyl)-2-(2-(3-(2-(1-(5-carboxypentyl)-3,3-dimethylindolin-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium bromide