Account 2-(2-((-(2-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACDZQS260
- CAS No. :
- 2104632-29-1
- Molecular Formula :
- C37H44N2O8S2
- Molecular Weight :
- 708.90
IUPAC Name:2-(2-(3-(2-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | 2-(2-((-(2-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | 2-(2-(3-(2-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C37H44N2O8S2 |
| Molecular Weight | 708.90 |
| SMILES | C[N+]1=C(C=CC2=CC(=CC=C3N(CCCCCC(=O)O)C4=CC=C(S(=O)(=O)O)C=C4C3(C)C)CCC2)C(C)(C)C2=C1C=CC(S(=O)(=O)[O-])=C2 |
| InChI Key | DLYKRYZANXSQNL-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-sulfo-, inner salt |
| CAS No. | 2104632-29-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACDZQS260 Molecular Building Block Synthetic Route
2-(2-(3-(2-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate, sodium salt
2-(5-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
Sodium 2-(5-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate