Basic information
- Standard SMILES
CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.[Na+]- InChIKey
NWPMTMCXJZTLSO-UHFFFAOYSA-M- Molecular formula
- C8H7NaO5S
- Average molar mass
- 238.19 g/mol
Names & identifiers
- Preferred name
- 4-Acetoxy-benzenesulfonic acid sodium salt
- IUPAC
- sodium 4-acetyloxybenzenesulfonate
Names & synonyms
SCHEMBL65265NWPMTMCXJZTLSO-UHFFFAOYSA-MAKOS0158910214-acetoxy-benzenesulfonic acid sodium salt1-Phenol-4-sulfonic acid, acetate, sodium salt
Database identifiers
- PubChem CID
- 23698246
- Nikkaji
- J1.906.559F
Properties
Computed structural properties
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Related reactions
1 records
Compound notes
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