Account Sodium 2-(2-(2-chloro-3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACRFPX612
- CAS No. :
- 1252007-83-2
- Molecular Formula :
- C38H44ClN2Na3O12S4
- Molecular Weight :
- 953.46
IUPAC Name:sodium 2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | Sodium 2-(2-(2-chloro-3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | sodium 2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate |
| MDL No. | MFCD11114409 |
| Molecular Formula | C38H44ClN2Na3O12S4 |
| Molecular Weight | 953.46 |
| SMILES | O=S([O-])(C1=CC2=C(C=C1)[N+](CCCCS(=O)([O-])=O)=C(C=CC3=C(Cl)C(CCC3)=CC=C4N(C5=CC=C(C=C5C4(C)C)S(=O)([O-])=O)CCCCS(=O)([O-])=O)C2(C)C)=O.[Na+].[Na+].[Na+] |
| InChI Key | RNYJFPBIWHZDBN-UHFFFAOYSA-K |
| Synonym | 3,3-DIMETHYL-2-[2-[2-CHLORO-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDEChemicalbookNE]ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-5-SULFO-1-(4-SULFOBUTYL)-3H-INDOLIUMINNERSALTTRISODIUMSALT;S0456;S 0456-Bio-X;2-(2-(2-chloro-3-(2-(3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-5-sulfonate, trisodium salt;Sodium 2-(2-(2-chloro-3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate;sodium 2-(E-2-((E)-2-chloro-3-(2-((E-3,3- dimethyl-5-sulfonato-1-(4- sulfonatobutyl)indolin-2- ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)- 3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-;sodium 2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate |
| CAS No. | 1252007-83-2 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACRFPX612 Molecular Building Block Synthetic Route
4-(2-(2-(2-Chloro-3-(2-(3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate
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
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