Account Sodium 4-((6-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)indolin-2-ylidene)ethylidene)-2-(2-(3-(4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-1-en-1-yl)oxy)benzenesulfonate
- Catalog No. :
- ACFTRC002
- CAS No. :
- 2131095-32-2
- Molecular Formula :
- C49H53N3Na2O14S3
- Molecular Weight :
- 1050.15
IUPAC Name:sodium 4-(((E)-2-((E)-2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)-6-(2-((E)-3-(4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)-3-methyl-1-(3-sulfonatopropyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)oxy)benzenesulfonate
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Product Information
| Product Name | Sodium 4-((6-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)indolin-2-ylidene)ethylidene)-2-(2-(3-(4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-1-en-1-yl)oxy)benzenesulfonate |
|---|---|
| IUPAC Name | sodium 4-(((E)-2-((E)-2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)-6-(2-((E)-3-(4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)-3-methyl-1-(3-sulfonatopropyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)oxy)benzenesulfonate |
| Molecular Formula | C49H53N3Na2O14S3 |
| Molecular Weight | 1050.15 |
| SMILES | O=S(CCC[N+]1=C(C=CC2=C(OC3=CC=C(S(=O)([O-])=O)C=C3)C(CCC2)=CC=C4N(CCCS(=O)([O-])=O)C5=C(C=CC=C5)C4(C)C)C(C)(CCCC(ON6C(CCC6=O)=O)=O)C7=C1C=CC=C7)([O-])=O.[Na+].[Na+] |
| InChI Key | XUKNUPLJKMTTPF-UHFFFAOYSA-L |
| Synonym | BP Light 800 NHS ester;3H-Indolium, 2-[2-[3-[2-[1,3-dihydro-3,3-dimethyl-1-(3-sulfopropyl)-2H-indol-2-ylidene]ethylidene]-2-(4-sulfophenoxy)-1-cyclohexen-1-yl]ethenyl]-3-[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]-3-methyl-1-(3-sulfopropyl)-, inner salt, sodium salt (1:2) |
| CAS No. | 2131095-32-2 |
Synthetic Route by SureRoute
2. ACFTRC002 Molecular Building Block Synthetic Route
Sodium 4-((2-(2-(3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)-6-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)oxy)benzenesulfonate
Sodium 2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl)vinyl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
3-(2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate