Account 2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACVXAI686
- CAS No. :
- 2055138-87-7
- Molecular Formula :
- C33H39N3O7S2
- Molecular Weight :
- 653.82
IUPAC Name:2-((E)-3-((Z)-3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | 2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | 2-((E)-3-((Z)-3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C33H39N3O7S2 |
| Molecular Weight | 653.82 |
| SMILES | O=S(C1=CC2=C(C=C1)[N+](C)=C(C2(C)C)C=CC=C3N(C4=C(C3(C)C)C=C(C=C4)S(=O)(O)=O)CCCCCC(NCC#C)=O)([O-])=O |
| InChI Key | XSGLRQOAKBTVLR-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[3-[1,3-dihydro-3,3-dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1,3,3-trimethyl-5-sulfo-, inner salt |
| CAS No. | 2055138-87-7 |
Synthetic Route by SureRoute
2. ACVXAI686 Molecular Building Block Synthetic Route
Sodium 2-(3-(3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfonatoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
Sodium 2-(5-(3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
2-(5-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate