Account Triethylamine hemi(2-(3,6-diamino-4-sulfo-5-sulfonatoxanthylium-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzoate)
- Catalog No. :
- ACBACS829
- CAS No. :
- 878546-79-3
- Molecular Formula :
- C39H44F4N4O11S2
- Molecular Weight :
- 884.92
IUPAC Name:triethylamine hemi(2-(3,6-diamino-4-sulfo-5-sulfonatoxanthylium-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzoate)
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Product Information
| Product Name | Triethylamine hemi(2-(3,6-diamino-4-sulfo-5-sulfonatoxanthylium-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzoate) |
|---|---|
| IUPAC Name | triethylamine hemi(2-(3,6-diamino-4-sulfo-5-sulfonatoxanthylium-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzoate) |
| Molecular Formula | C39H44F4N4O11S2 |
| Molecular Weight | 884.92 |
| SMILES | O=S(C1=C(N)C=CC2=C(C3=CC=C(C(OC4=C(F)C(F)=CC(F)=C4F)=O)C=C3C(O)=O)C5=C([O+]=C12)C(S(=O)(O)=O)=C(N)C=C5)([O-])=O.CCN(CC)CC.CCN(CC)CC |
| InChI Key | POFHUVWKKKZUMI-UHFFFAOYSA-N |
| Synonym | 3,6-Diamino-9-[2-carboxy-4-[(2,3,5,6-tetrafluorophenoxy)carbonyl]phenyl]-4,5-disulfoxanthylium bis(triethylammmonium) salt |
| CAS No. | 878546-79-3 |
| PubChem CID | 138991769 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACBACS829 Molecular Building Block Synthetic Route
3,6-Diamino-9-(2-carboxy-4-((2,3,5,6-tetrafluorophenoxy)carbonyl)phenyl)-5-sulfoxanthylium-4-sulfonate
2-(6-Amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzoic acid
3,6-Diamino-9-(2-carboxy-4-(hydrazinecarbonyl)phenyl)-5-sulfoxanthylium-4-sulfonate