Account 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
- Catalog No. :
- ACJFBC924
- CAS No. :
- 120724-84-7
- Molecular Formula :
- C31H40N2NaO6S2
- Molecular Weight :
- 623.79
IUPAC Name:4-(2-((E)-3-((E)-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, sodium salt
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 4-(2-((E)-3-((E)-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, sodium salt |
| MDL No. | MFCD16621066 |
| Molecular Formula | C31H40N2NaO6S2 |
| Molecular Weight | 623.79 |
| SMILES | CC(C1=CC=CC=C21)(C)/C(N2CCCCS(O)(=O)=O)=C\C=C\C3=[N+](CCCCS([O-])(=O)=O)C4=CC=CC=C4C3(C)C.[Na+] |
| InChI Key | SBQIZSUJAUKSIJ-UHFFFAOYSA-N |
| Synonym | sodium;4-[2-[3-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate |
| CAS No. | 120724-84-7 |
| PubChem CID | 72395252 |
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. ACJFBC924 Molecular Building Block Synthetic Route
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
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