Account Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine
- Catalog No. :
- ACHPGI544
- CAS No. :
- 63148-90-3
- Molecular Formula :
- C38H48ClN3O8S2
- Molecular Weight :
- 774.40
IUPAC Name:triethylamine 4-(2-(2-((5-chloro-3-(3-sulfonatopropyl)benzo[d]oxazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-phenylbenzo[d]oxazol-3-ium-3-yl)butane-2-sulfonate
![Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine |
|---|---|
| IUPAC Name | triethylamine 4-(2-(2-((5-chloro-3-(3-sulfonatopropyl)benzo[d]oxazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-5-phenylbenzo[d]oxazol-3-ium-3-yl)butane-2-sulfonate |
| Molecular Formula | C38H48ClN3O8S2 |
| Molecular Weight | 774.40 |
| SMILES | O=S(CCC[N+]1=C(/C=C(/C=C2OC3=CC=C(C4=CC=CC=C4)C=C3N\2CCC(S(=O)(O)=O)C)CC)OC5=CC=C(Cl)C=C15)([O-])=O.CCN(CC)CC |
| InChI Key | FWPQPRLLYITZGV-UHFFFAOYSA-N |
| Synonym | benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3h)-benzoxazolyliden;Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene] methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine;Benzoxazolium, 5-chloro-2-[2-[[5-phenyl- 3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1 -butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1) |
| CAS No. | 63148-90-3 |
Synthetic Route by SureRoute
2. ACHPGI544 Molecular Building Block Synthetic Route
Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
3-Butyl-2-(3-(3-butylbenzo[d]oxazol-2(3H)-ylidene)prop-1-en-1-yl)benzo[d]oxazol-3-ium iodide
3-octadecyl-2-((1E,3E)-3-(3-octadecylbenzo[d]oxazol-2(3H)-ylidene)prop-1-en-1-yl)benzo[d]oxazol-3-ium perchlorate