Basic information
- Standard SMILES
CC(C)CCOc1ccc(S(=O)(=O)[O-])cc1.[Na+]- InChIKey
XWWUBWYGELFRSY-UHFFFAOYSA-M- Molecular formula
- C11H15NaO4S
- Average molar mass
- 266.29 g/mol
Names & identifiers
- Preferred name
- Sodium 4-(3-methylbutoxy)benzenesulfonate
- IUPAC
- sodium 4-(3-methylbutoxy)benzenesulfonate
Names & synonyms
SCHEMBL6947554XWWUBWYGELFRSY-UHFFFAOYSA-Msodium 4(3-methylbutoxy)benzenesulfonateSodium 4-(3-methylbutoxy)benzenesulfonate
Database identifiers
- PubChem CID
- 23701366
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
6 records
Compound notes
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