Account 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfo-2-(5-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium bromide
- Catalog No. :
- ACAJMW956
- CAS No. :
- 2870641-82-8
- Molecular Formula :
- C36H42BrN3O10S2
- Molecular Weight :
- 820.78
IUPAC Name:2-((1E,3E)-5-((Z)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-5-sulfo-3H-indol-1-ium bromide
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Product Information
| Product Name | 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfo-2-(5-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium bromide |
|---|---|
| IUPAC Name | 2-((1E,3E)-5-((Z)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-5-sulfo-3H-indol-1-ium bromide |
| Molecular Formula | C36H42BrN3O10S2 |
| Molecular Weight | 820.78 |
| SMILES | O=S(C1=CC2=C(N(C)C(C2(C)C)=CC=CC=CC3=[N+](CCCCCC(ON4C(CCC4=O)=O)=O)C5=C(C=C(S(=O)(O)=O)C=C5)C3(C)C)C=C1)(O)=O.[Br-] |
| InChI Key | ISGGGJOGKMVONC-UHFFFAOYSA-N |
| CAS No. | 2870641-82-8 |
Synthetic Route by SureRoute
2. ACAJMW956 Molecular Building Block Synthetic Route
Potassium 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(5-(1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium-5-sulfonate
1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(5-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium-5-sulfonate
Sodium 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(5-(1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium-5-sulfonate