Account Sodium 4-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
- Catalog No. :
- ACNMIA657
- CAS No. :
- 115970-66-6
- Molecular Formula :
- C38H46ClN2NaO6S2
- Molecular Weight :
- 749.37
IUPAC Name:sodium 4-((Z)-2-((E)-2-(2-chloro-3-((E)-2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | Sodium 4-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | sodium 4-((Z)-2-((E)-2-(2-chloro-3-((E)-2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
| MDL No. | MFCD03093208 |
| Molecular Formula | C38H46ClN2NaO6S2 |
| Molecular Weight | 749.37 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C2=C(Cl)/C(CCC2)=C/C=C3N(CCCCS(=O)([O-])=O)C4=C(C=CC=C4)C\3(C)C)C(C)(C)C5=C1C=CC=C5)([O-])=O.[Na+] |
| InChI Key | QQIQAVJARACLHE-UHFFFAOYSA-M |
| Synonym | DTXSID00701181 | MFCD03093208 | FT-0696354 | Sodium 4-{2-[2-(2-chloro-3-{2-[3,3-dimethyl-1-(4-sulfonatobutyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-3H-indol-1-ium-1-yl}butane-1-sulfonate | SY055929 | F9995-0848 |
| CAS No. | 115970-66-6 |
| PubChem CID | 53438012 |
Synthetic Route by SureRoute
2. ACNMIA657 Molecular Building Block Synthetic Route
4-(2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidenE)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3h-indol-1-ium-1-yl)butane-1-sulfonate
4-(2-(2-(2-Chloro-3-(2-(3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate
2-(2-(2-Chloro-3-(2-(3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide