Account 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
- Catalog No. :
- ACIUDF576
- CAS No. :
- 2094643-87-3
- Molecular Formula :
- C53H64N4O13S4
- Molecular Weight :
- 1093.38
IUPAC Name:(2Z)-2-((2E)-2-((3E)-3-((Z)-2-(1,1-dimethyl-7-sulfo-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-(methyl(2-(methylamino)ethyl)iminio)-5-(prop-2-yn-1-yloxy)cyclohexylidene)ethylidene)-1,1-dimethyl-3-(4-sulfobutyl)-2,3-dihydro-1H-benzo[e]indole-7-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | (2Z)-2-((2E)-2-((3E)-3-((Z)-2-(1,1-dimethyl-7-sulfo-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-(methyl(2-(methylamino)ethyl)iminio)-5-(prop-2-yn-1-yloxy)cyclohexylidene)ethylidene)-1,1-dimethyl-3-(4-sulfobutyl)-2,3-dihydro-1H-benzo[e]indole-7-sulfonate |
| Molecular Formula | C53H64N4O13S4 |
| Molecular Weight | 1093.38 |
| SMILES | O=S(=O)([O-])C=1C=CC2=C(C=CC3=C2C(C(C=CC4=C(C(=CC=C5N(C6=CC=C7C=C(C=CC7=C6C5(C)C)S(=O)(=O)O)CCCCS(=O)(=O)O)CC(OCC#C)C4)N(C)CCNC)=[N+]3CCCCS(=O)(=O)O)(C)C)C1 |
| InChI Key | OJAQDSBQPIVZNL-UHFFFAOYSA-N |
| 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-[methyl[2-(methylamino)ethyl]amino]-5-(2-propyn-1-yloxy)-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-7-sulfo-3-(4-sulfobutyl)-, inner salt |
| CAS No. | 2094643-87-3 |
Synthetic Route by SureRoute
2. ACIUDF576 Molecular Building Block Synthetic Route
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
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
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