Account 4-(2-(2-(2-((2-Carboxyethyl)thio)-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. :
- ACGVDS102
- CAS No. :
- 867249-81-8
- Molecular Formula :
- C49H56N2O8S3
- Molecular Weight :
- 897.19
IUPAC Name:4-(2-(2-(2-((2-carboxyethyl)thio)-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
![4-(2-(2-(2-((2-Carboxyethyl)thio)-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-((2-Carboxyethyl)thio)-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-(2-(2-(2-((2-carboxyethyl)thio)-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 |
| Molecular Formula | C49H56N2O8S3 |
| Molecular Weight | 897.19 |
| SMILES | CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])C4=CC=C5C=CC=CC5=C4C3(C)C)=C2SCCC(=O)O)N(CCCCS(=O)(=O)O)C2=CC=C3C=CC=CC3=C21 |
| InChI Key | LHSFURYTTZUZRN-UHFFFAOYSA-N |
| Synonym | 1H-Benz[e]indolium, 2-[2-[2-[(2-carboxyethyl)thio]-3-[2-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt;(C4SO3)2);lipo Cy7.5(TPA-Hex |
| CAS No. | 867249-81-8 |
Synthetic Route by SureRoute
2. ACGVDS102 Molecular Building Block Synthetic Route
4-(2-(2-(3-(2-(1,1-Dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-((3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)thio)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
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
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