Account 4-(2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-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
- Catalog No. :
- ACCDAV702
- CAS No. :
- 251102-88-2
- Molecular Formula :
- C43H48N2O5S
- Molecular Weight :
- 704.93
IUPAC Name:4-((Z)-2-((2E,4E)-5-(3-(5-carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)penta-2,4-dien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
![4-(2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-(2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-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 |
|---|---|
| IUPAC Name | 4-((Z)-2-((2E,4E)-5-(3-(5-carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)penta-2,4-dien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate |
| Molecular Formula | C43H48N2O5S |
| Molecular Weight | 704.93 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C=C/C=C2N(CCCCCC(O)=O)C3=C(C4=CC=CC=C4C=C3)C/2(C)C)C(C)(C)C5=C1C=CC6=CC=CC=C56)([O-])=O |
| InChI Key | OHNKERIUPMLSIL-UHFFFAOYSA-N |
| Synonym | Cy5.5 Acid(mono SO3);Cy5.5 Acid(mono SO3) lipo Cy5.5(C4SO3);4-(2-(5-(3-(5-cArboxypentyl)-1，1-dimethyl-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;1H-Benz[e]indolium, 2-[5-[3-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3-pentadien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt |
| CAS No. | 251102-88-2 |
Synthetic Route by SureRoute
2. ACCDAV702 Molecular Building Block Synthetic Route
4-(2-(7-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
4-(2-(7-(3-(6-((6-aminohexyl)amino)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-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-(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