Account 4-(2-((E)-2-((E)-2-Chloro-3-((phenylamino)methylene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate
- Catalog No. :
- ACAIAJ586
- CAS No. :
- 1802321-08-9
- Molecular Formula :
- C29H33ClN2O3S
- Molecular Weight :
- 525.11
IUPAC Name:4-(2-((E)-2-((E)-2-chloro-3-((phenylamino)methylene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate
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Product Information
| Product Name | 4-(2-((E)-2-((E)-2-Chloro-3-((phenylamino)methylene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-(2-((E)-2-((E)-2-chloro-3-((phenylamino)methylene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate |
| Molecular Formula | C29H33ClN2O3S |
| Molecular Weight | 525.11 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C2=C(Cl)/C(CCC2)=C/NC3=CC=CC=C3)C(C)(C)C4=C1C=CC=C4)([O-])=O |
| InChI Key | RHCLAVQLWWCJBN-UHFFFAOYSA-N |
| Synonym | 4-(2-((E)-2-((E)-2-Chloro-3-((phenylamino)methylene)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate |
| CAS No. | 1802321-08-9 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACAIAJ586 Molecular Building Block Synthetic Route
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
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