Account 4-(2-(3-(3,3-Dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate
- Catalog No. :
- ACMWNF298
- CAS No. :
- 50354-01-3
- Molecular Formula :
- C31H40N2O6S2
- Molecular Weight :
- 600.80
IUPAC Name:4-((E)-2-((E)-3-(3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | 4-(2-(3-(3,3-Dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-((E)-2-((E)-3-(3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
| Molecular Formula | C31H40N2O6S2 |
| Molecular Weight | 600.80 |
| SMILES | O=S(CCCC[N+]1=C(C=CC=C2N(CCCCS(=O)(O)=O)C3=C(C=CC=C3)C2(C)C)C(C)(C)C4=C1C=CC=C4)([O-])=O |
| InChI Key | ZXICIFDEGMIMJY-UHFFFAOYSA-N |
| Synonym | indomonocarbocyanine |
| CAS No. | 50354-01-3 |
Synthetic Route by SureRoute
2. ACMWNF298 Molecular Building Block Synthetic Route
Sodium 4-(2-(3-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
Sodium 4-(2-(7-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
4-(2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate