Account 1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(2-(3-(2-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACCISX762
- CAS No. :
- 1604244-45-2
- Molecular Formula :
- C39H43N3O10S2
- Molecular Weight :
- 777.92
IUPAC Name:(E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-((E)-2-(3-((E)-2-(1,3,3-trimethyl-5-sulfo-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)indoline-5-sulfonate
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Product Information
| Product Name | 1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(2-(3-(2-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | (E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-((E)-2-(3-((E)-2-(1,3,3-trimethyl-5-sulfo-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)indoline-5-sulfonate |
| Molecular Formula | C39H43N3O10S2 |
| Molecular Weight | 777.92 |
| SMILES | O=S(C1=CC2=C([N+](CCCCCC(ON3C(CCC3=O)=O)=O)=C(C=CC4=CC(CCC4)=CC=C5N(C)C6=C(C=C(S(=O)(O)=O)C=C6)C5(C)C)C2)C=C1)([O-])=O |
| InChI Key | ISPQPKJKLHXNHO-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-5-sulfo-, inner salt |
| CAS No. | 1604244-45-2 |
Synthetic Route by SureRoute
2. ACCISX762 Molecular Building Block Synthetic Route
Potassium 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(2-(3-(2-(1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3H-indol-1-ium-5-sulfonate
Sodium 1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(3-(1,3,3-trimethyl-5-sulfonatoindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium-5-sulfonate
1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(3-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium-5-sulfonate