Account Sodium 2-((1E,3E)-5-((E)-1-(5-carboxypentyl)-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3-methyl-3-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACRNIP844
- CAS No. :
- 1638197-45-1
- Molecular Formula :
- C38H47N2Na3O15S4
- Molecular Weight :
- 969.03
IUPAC Name:sodium 2-((1E,3E)-5-((E)-1-(5-carboxypentyl)-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3-methyl-3-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | Sodium 2-((1E,3E)-5-((E)-1-(5-carboxypentyl)-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3-methyl-3-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | sodium 2-((1E,3E)-5-((E)-1-(5-carboxypentyl)-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3-methyl-3-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C38H47N2Na3O15S4 |
| Molecular Weight | 969.03 |
| SMILES | COCC[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)O)C3=C(C=C(S(=O)(=O)[O-])C=C3)C2(C)CCCS(=O)(=O)[O-])C(C)(CCCS(=O)(=O)[O-])C2=C1C=CC(S(=O)(=O)[O-])=C2.[Na+].[Na+].[Na+] |
| InChI Key | ILLNWRQKWKHXHK-UHFFFAOYSA-K |
| Synonym | BP Light 650 carboxylic acid;3H-Indolium, 2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-1,3-dihydro-3-methyl-5-sulfo-3-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-(2-methoxyethyl)-3-methyl-5-sulfo-3-(3-sulfopropyl)-, inner salt, sodium salt (1:3) |
| CAS No. | 1638197-45-1 |
Synthetic Route by SureRoute
2. ACRNIP844 Molecular Building Block Synthetic Route
Sodium 2-((E)-3-((E)-1-(5-carboxypentyl)-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indolin-2-ylidene)prop-1-en-1-yl)-1-(2-methoxyethyl)-3-methyl-3-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate
3-(3-(4-Carboxybutyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
3-(3-(5-Carboxypentyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate