Basic information
- CAS
34703-83-8- Standard SMILES
O=C([O-])C(=O)O.O=[N+]([O-])c1ccc(S(=O)(=O)OCC[n+]2c[nH]c3ccccc32)cc1- InChIKey
CBRGVYYCGFZTQA-UHFFFAOYSA-N- Molecular formula
- C17H15N3O9S
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.05290024
Names & identifiers
- Preferred name
- Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate
Names & synonyms
34703-83-8RefChem:1093956DTXCID501384159DTXSID30956187Oxalic acid--2-(1H-benzimidazol-1-yl)ethyl 4-nitrobenzene-1-sulfonate (1/1)Benzenesulfonic acid, p-nitro-, 2-(1-benzimidazolyl)ethyl ester, oxalate, hydrate1-BENZIMIDAZOLEETHANOL, p-NITROBENZENESULFONATE (ester), OXALATE,HYDRATE (1:1:1)
Database identifiers
- CAS
34703-83-8- PubChem CID
- 36894
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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