Sodium 3-[(1,1-dimethylethyl)-2-hydroxyphenoxy]propanesulphonate
Basic information
- CAS
93803-96-4- Standard SMILES
CC(C)(C)c1cccc(OCCCS(=O)(=O)[O-])c1O.[Na+]- InChIKey
ZZBCRQJQLKNSIF-UHFFFAOYSA-M- Molecular formula
- C13H19NaO5S
- Average molar mass
- 310.34 g/mol
- Monoisotopic mass
- 310.08508916
Names & identifiers
- Preferred name
- Sodium 3-[(1,1-dimethylethyl)-2-hydroxyphenoxy]propanesulphonate
- IUPAC
- sodium 3-(3-tert-butyl-2-hydroxyphenoxy)propane-1-sulfonate
- English name
- sodium 3-[(1,1-dimethylethyl)-2-hydroxyphenoxy]propanesulphonate
- Molecular formula
- C13H19NaO5S
- Molecular weight
- 310.34173
Names & synonyms
EINECS 298-371-993803-96-4Sodium 3-((1,1-dimethylethyl)-2-hydroxyphenoxy)propanesulphonateDTXSID80239679Sodium 3-[(1,1-dimethylethyl)-2-hydroxyphenoxy]propanesulphonateRefChem:183644DTXCID80162170298-371-9SODIUM 3-(3-TERT-BUTYL-2-HYDROXYPHENOXY)PROPANE-1-SULFONATE
Database identifiers
- CAS
93803-96-4- PubChem CID
- 23662575
- DTXSID
DTXSID80239679- EC Number
- 298-371-9
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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