Account Sodium 2-(2-(3-(2-(1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-(ethyl(2-(ethylamino)ethyl)amino)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate
- Catalog No. :
- ACYKXT808
- CAS No. :
- 2185036-45-5
- Molecular Formula :
- C55H65N4Na3O13S4
- Molecular Weight :
- 1187.38
IUPAC Name:sodium (2Z,2'Z)-2,2'-((2Z,2'E)-(2-(ethyl(2-(ethylamino)ethyl)iminio)-5-(prop-2-yn-1-yloxy)cyclohexane-1,3-diylidene)bis(ethane-2,1-diylidene))bis(1,1-dimethyl-3-(4-sulfonatobutyl)-2,3-dihydro-1H-benzo[e]indole-7-sulfonate)
![Sodium 2-(2-(3-(2-(1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-(ethyl(2-(ethylamino)ethyl)amino)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Sodium 2-(2-(3-(2-(1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-(ethyl(2-(ethylamino)ethyl)amino)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate |
|---|---|
| IUPAC Name | sodium (2Z,2'Z)-2,2'-((2Z,2'E)-(2-(ethyl(2-(ethylamino)ethyl)iminio)-5-(prop-2-yn-1-yloxy)cyclohexane-1,3-diylidene)bis(ethane-2,1-diylidene))bis(1,1-dimethyl-3-(4-sulfonatobutyl)-2,3-dihydro-1H-benzo[e]indole-7-sulfonate) |
| Molecular Formula | C55H65N4Na3O13S4 |
| Molecular Weight | 1187.38 |
| SMILES | O=S([O-])(C1=CC2=CC=C3C(C(C)(C(N3CCCCS(=O)([O-])=O)=CC=C4C(N(CC)CCNCC)=C(C=CC5=[N+](C6=C(C7=C(C=C6)C=C(C=C7)S(=O)([O-])=O)C5(C)C)CCCCS(=O)([O-])=O)CC(OCC#C)C4)C)=C2C=C1)=O.[Na+].[Na+].[Na+] |
| InChI Key | VQJVHFUZHOVPMQ-UHFFFAOYSA-K |
| Synonym | 1H-Benz[e]indolium, 2-[2-[3-[2-[1,3-dihydro-1,1-dimethyl-7-sulfo-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]ethylidene]-2-[ethyl[2-(ethylamino)ethyl]amino]-5-(2-propyn-1-yloxy)-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-7-sulfo-3-(4-sulfobutyl)-, inner salt, sodium salt (1:3) |
| CAS No. | 2185036-45-5 |
Synthetic Route by SureRoute
2. ACYKXT808 Molecular Building Block Synthetic Route
4-(2-(2-(3-(2-(1,1-Dimethyl-7-sulfo-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-(ethyl(2-(ethylamino)ethyl)amino)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-7-sulfo-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
2-(2-(3-(2-(1,1-Dimethyl-7-sulfo-3-(4-sulfobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-(methyl(2-(methylamino)ethyl)amino)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-3-(4-sulfobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate
Sodium 2-(2-(2-chloro-3-(2-(1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-5-(prop-2-yn-1-yloxy)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-7-sulfonate