Account Potassium 2-((E)-2-((E)-2-((4-(4-carboxybutanamido)phenyl)thio)-3-(2-((E)-1-(hex-5-yn-1-yl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(hex-5-yn-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACCTST632
- CAS No. :
- 1449661-20-4
- Molecular Formula :
- C53H58KN3O9S3
- Molecular Weight :
- 1016.36
IUPAC Name:potassium 2-((E)-2-((E)-2-((4-(4-carboxybutanamido)phenyl)thio)-3-(2-((E)-1-(hex-5-yn-1-yl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(hex-5-yn-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | Potassium 2-((E)-2-((E)-2-((4-(4-carboxybutanamido)phenyl)thio)-3-(2-((E)-1-(hex-5-yn-1-yl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(hex-5-yn-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | potassium 2-((E)-2-((E)-2-((4-(4-carboxybutanamido)phenyl)thio)-3-(2-((E)-1-(hex-5-yn-1-yl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(hex-5-yn-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
| MDL No. | MFCD18452827 |
| Molecular Formula | C53H58KN3O9S3 |
| Molecular Weight | 1016.36 |
| SMILES | O=S(C1=CC2=C([N+](CCCCC#C)=C(/C=C/C3=C(SC4=CC=C(NC(CCCC(O)=O)=O)C=C4)/C(CCC3)=C/C=C5N(CCCCC#C)C6=C(C=C(S(=O)([O-])=O)C=C6)C/5(C)C)C2(C)C)C=C1)([O-])=O.[K+] |
| InChI Key | GLVAQGAOXASSSF-UHFFFAOYSA-M |
| Synonym | 2-{2-{2-[4-(4-Carboxybutyrylamino)phenylthio]-3-{2-[1-(hex-5-ynyl)-1,3-dihydro-3,3-dimethyl-5-sulfoindol-2-ylidene]ethylidene}cyclohex-1-enyl}vinyl}-1-(hex-5-ynyl)-3,3-dimethyl-3H-indolium-5-sulfonate monopotassium salt;Iris 7G-WS carboxylic acid |
| CAS No. | 1449661-20-4 |
Synthetic Route by SureRoute
2. ACCTST632 Molecular Building Block Synthetic Route
2-(2-(2-((4-Aminophenyl)thio)-3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium
2-((E)-2-((E)-3-(2-((E)-3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene)-2-(phenylthio)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium perchlorate
Sodium 4-(2-(2-(3-(2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-((4-isothiocyanatophenyl)thio)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate