Account 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
- Catalog No. :
- ACAANN528
- CAS No. :
- 146397-18-4
- Molecular Formula :
- C33H42N2O11S3
- Molecular Weight :
- 738.90
IUPAC Name:4-((Z)-2-((E)-3-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethyl-5-sulfoindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 4-((Z)-2-((E)-3-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-2-yl)allylidene)-3,3-dimethyl-5-sulfoindolin-1-yl)butane-1-sulfonate |
| MDL No. | MFCD30470667 |
| Molecular Formula | C33H42N2O11S3 |
| Molecular Weight | 738.90 |
| SMILES | O=S(CCCC[N+]1=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 | MZPZLEUPQZLOOM-UHFFFAOYSA-N |
| Synonym | Cy3 Acid(tri SO3);4-[(2~{Z})-2-[(E)-3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate;Cy3 Acid(tri SO3) sulfo Cy3(C4SO3) |
| CAS No. | 146397-18-4 |
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. ACAANN528 Molecular Building Block Synthetic Route
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
Cy5 acid(tri so3)
Cy3 diacid(diso3)