Account 4-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate
- Catalog No. :
- ACJJSQ671
- CAS No. :
- 1424433-13-5
- Molecular Formula :
- C37H46N2O11S3
- Molecular Weight :
- 790.98
IUPAC Name:4-((Z)-2-((2E,4E,6E)-7-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-3,3-dimethyl-5-sulfoindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | 4-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-((Z)-2-((2E,4E,6E)-7-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-3,3-dimethyl-5-sulfoindolin-1-yl)butane-1-sulfonate |
| MDL No. | MFCD30470682 |
| Molecular Formula | C37H46N2O11S3 |
| Molecular Weight | 790.98 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C=C/C=C/C=C2N(CCCCCC(O)=O)C3=C(C=C(S(=O)(O)=O)C=C3)C\2(C)C)C(C)(C)C4=C1C=CC(S(=O)(O)=O)=C4)([O-])=O |
| InChI Key | VWPZKYGTYRCXBU-UHFFFAOYSA-N |
| Synonym | Cy7 Acid(triSO3);Cy7 Acid(triSO3) sulfo Cy7(C4SO3);4-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate |
| CAS No. | 1424433-13-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACJJSQ671 Molecular Building Block Synthetic Route
4-(2-(3-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)butane-1-sulfonate
Cy5 acid(tri so3)
3-(2-(7-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate