Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)
Basic information
- CAS
68133-71-1- Standard SMILES
CCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
QEYSCNOGYNCDLA-UHFFFAOYSA-L- Molecular formula
- C17H30Na2O7S
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.15076303
Names & identifiers
- Preferred name
- Butanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)
- IUPAC
- disodium;4-oxo-3-sulfonato-4-tridecoxybutanoate
Names & synonyms
68133-71-1Butanedioic acid, sulfo-, 1-tridecyl ester, disodium saltButanedioic acid, sulfo-, monotridecyl ester, disodium saltButanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2)RefChem:122053disodium 4-oxo-3-sulfonato-4-(tridecyloxy)butanoateSCHEMBL4809983DTXSID40987624QEYSCNOGYNCDLA-UHFFFAOYSA-L
Database identifiers
- CAS
68133-71-1- PubChem CID
- 109152
- DTXSID
DTXSID40987624- Nikkaji
- J429.750D
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanedioic acid, sulfo-, 1-tridecyl ester, disodium salt
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2-sulfo-, 1-tridecyl ester, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…