Account 4-(2-(2-(2-Chloro-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
- Catalog No. :
- ACZETC117
- CAS No. :
- 162411-28-1
- Molecular Formula :
- C46H51ClN2O6S2
- Molecular Weight :
- 827.51
IUPAC Name:4-((E)-2-((E)-2-(2-chloro-3-((E)-2-(1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
![4-(2-(2-(2-Chloro-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-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-(2-(2-Chloro-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-((E)-2-((E)-2-(2-chloro-3-((E)-2-(1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate |
| Molecular Formula | C46H51ClN2O6S2 |
| Molecular Weight | 827.51 |
| SMILES | O=S(CCCC[N+]1=C(C=CC2=C(Cl)C(CCC2)=CC=C3N(CCCCS(=O)(O)=O)C4=C(C5=CC=CC=C5C=C4)C3(C)C)C(C)(C)C6=C1C=CC7=CC=CC=C67)([O-])=O |
| InChI Key | AWZSJBDJHOOBGX-UHFFFAOYSA-N |
| Synonym | ADS830WS;bisC4-SO3);lipo Cy7.5(hex-Cl;New ICG |
| CAS No. | 162411-28-1 |
Synthetic Route by SureRoute
2. ACZETC117 Molecular Building Block Synthetic Route
Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
1H-Benz[e]indolium, 3-(3-aminopropyl)-2-[2-[2-chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-, bromide, hydrobromide
4-(2-(2-(2-Chloro-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclopent-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate