Account 4-(2-(3-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
- Catalog No. :
- ACJRLY522
- CAS No. :
- 758672-91-2
- Molecular Formula :
- C39H44N2O6S2
- Molecular Weight :
- 700.92
IUPAC Name:4-((Z)-2-((E)-3-(1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium-2-yl)allylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
![4-(2-(3-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-(2-(3-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-((Z)-2-((E)-3-(1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium-2-yl)allylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate |
| Molecular Formula | C39H44N2O6S2 |
| Molecular Weight | 700.92 |
| SMILES | O=S(CCCC[N+]1=C(C=CC=C2N(CCCCS(=O)(O)=O)C3=C(C4=CC=CC=C4C=C3)C2(C)C)C(C)(C)C5=C1C=CC6=CC=CC=C56)([O-])=O |
| InChI Key | WCIZUCMTRNTGPF-UHFFFAOYSA-N |
| Synonym | 1H-Benz[e]indolium, 2-[3-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1-propen-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt |
| CAS No. | 758672-91-2 |
Synthetic Route by SureRoute
2. ACJRLY522 Molecular Building Block Synthetic Route
Sodium 4-(2-(3-(1,1-dimethyl-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
Sodium 4-(2-(7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
Sodium 4-(2-(5-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate