Basic information
- CAS
78917-48-3- Standard SMILES
O=C(CS(=O)(=O)[O-])c1cc2ccccc2o1.[Na+]- InChIKey
IGJLPYMDNJZUKN-UHFFFAOYSA-M- Molecular formula
- C10H7NaO5S
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 261.99118878
Names & identifiers
- Preferred name
- 2-Benzofuranethanesulfonic acid, I(2)-oxo-, sodium salt (1:1)
- IUPAC
- sodium 2-(1-benzofuran-2-yl)-2-oxoethanesulfonate
Names & synonyms
SCHEMBL11254823DTXSID8013784422-Benzofuranethanesulfonic acid, I(2)-oxo-, sodium salt (1:1)78917-48-3
Database identifiers
- CAS
78917-48-3- PubChem CID
- 23720161
- DTXSID
DTXSID801378442
Properties
Computed structural properties
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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