Account Potassium 2-((E)-2-((E)-2-(4-(4-carboxybutanamido)phenoxy)-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. :
- ACKBVD457
- CAS No. :
- 1356154-86-3
- Molecular Formula :
- C53H58KN3O10S2
- Molecular Weight :
- 1000.29
IUPAC Name:potassium 2-((E)-2-((E)-2-(4-(4-carboxybutanamido)phenoxy)-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)phenoxy)-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)phenoxy)-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. | MFCD18452825 |
| Molecular Formula | C53H58KN3O10S2 |
| Molecular Weight | 1000.29 |
| SMILES | O=S(C1=CC2=C([N+](CCCCC#C)=C(/C=C/C3=C(OC4=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 | YQXFZXZEZDXDBU-UHFFFAOYSA-M |
| Synonym | 2-{2-{2-[4-(4-Carboxybutyrylamino)phenoxy]-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 7-WS carboxylic acid |
| CAS No. | 1356154-86-3 |
Synthetic Route by SureRoute
2. ACKBVD457 Molecular Building Block Synthetic Route
Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
Nerindocianine
Sodium 2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl)vinyl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate