Account Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine
- Catalog No. :
- ACEWAA686
- CAS No. :
- 63450-48-6
- Molecular Formula :
- C33H45Cl2N3O6S4
- Molecular Weight :
- 778.91
IUPAC Name:triethylamine 4-(5-chloro-2-(2-((5-chloro-3-(4-sulfonatobutyl)benzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)benzo[d]thiazol-3-ium-3-yl)butane-1-sulfonate
![Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine |
|---|---|
| IUPAC Name | triethylamine 4-(5-chloro-2-(2-((5-chloro-3-(4-sulfonatobutyl)benzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)benzo[d]thiazol-3-ium-3-yl)butane-1-sulfonate |
| Molecular Formula | C33H45Cl2N3O6S4 |
| Molecular Weight | 778.91 |
| SMILES | O=S(CCCC[N+]1=C(/C=C(/C=C2SC3=CC=C(Cl)C=C3N\2CCCCS(=O)(O)=O)CC)SC4=CC=C(Cl)C=C14)([O-])=O.CCN(CC)CC |
| InChI Key | RUOZVASHYBSRES-UHFFFAOYSA-N |
| Synonym | 5-Chloro-2-[2-[5-chloro-3-(4-sulfobutyl)-3H-benzothiazol-2-ylidenemethyl]-but-1-enyl]-3-(4 sulfobutyl)-benzothiazol-3-ium hydroxide, inner salt, triethylammonium salt;S2278;4-[5-Chloro-2-(2-{[5-chloro-3-(4-sulfobutyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-buten-1-yl)-1,3-benzothiazol-3-ium-3-yl]-1-butanesulfonate-N,N-diethylethanamine(1:1) |
| CAS No. | 63450-48-6 |
Synthetic Route by SureRoute
2. ACEWAA686 Molecular Building Block Synthetic Route
Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd with N,N-diethylethanamine
Benzothiazolium, 5-methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine
3-(2-(2-((3-Ethyl-5-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)naphtho[1,2-d]thiazol-1-ium-1-yl)propane-1-sulfonate