Account 3-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
- Catalog No. :
- ACXEYM733
- CAS No. :
- 1540965-27-2
- Molecular Formula :
- C36H44N2O11S3
- Molecular Weight :
- 776.95
IUPAC Name:3-(2-((1E,3E,5E)-7-((E)-1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
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Product Information
| Product Name | 3-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate |
|---|---|
| IUPAC Name | 3-(2-((1E,3E,5E)-7-((E)-1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate |
| Molecular Formula | C36H44N2O11S3 |
| Molecular Weight | 776.95 |
| SMILES | O=S(CCC[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(O)=O)C3=C(C=C(S(=O)(O)=O)C=C3)C2(C)C)C(C)(C)C4=C1C=CC(S(=O)(O)=O)=C4)([O-])=O |
| InChI Key | CXWIRZJSJHNCRY-UHFFFAOYSA-N |
| CAS No. | 1540965-27-2 |
Synthetic Route by SureRoute
2. ACXEYM733 Molecular Building Block Synthetic Route
1-(5-Carboxypentyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
4-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate
1-(5-carboxypentyl)-2-(5-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate, potassium salt