Compound C17H15N3O9S
2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate
| Molecular Formula | C17H15N3O9S |
|---|---|
| Molecular Weight | 437.4 g/mol |
| Topological Polar Surface Area | 195.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0529 |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 34703-83-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O |
| InChIKey | CBRGVYYCGFZTQA-UHFFFAOYSA-N |
📖 Product Overview
Compound C17H15N3O9S (CAS: 34703-83-8) is a chemical compound with molecular formula C17H15N3O9S and molecular weight 437.4 g/mol. Its IUPAC systematic name is 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate.
CBRGVYYCGFZTQA-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O.
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