2D Chemical StructureDatabase ID 129893721
No renderable structure data available
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.[Na].[Na].[Na]Structure data verified · Database ID 129893721
Chemical Intermediate
CID 129893721
CAS 12768-91-1Product ID 734732
| Intermediates | CID 129893721 |
|---|---|
| IUPAC Name | — |
| CAS Number | 12768-91-1 |
| Database ID | 129893721 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
CID 129893721
CID 129893721 (CAS 12768-91-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number12768-91-1
Database ID129893721
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 129893721
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.[Na].[Na].[Na]
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 12768-91-1CID 129893721
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