2D structurePubChem CID 23672331
Identität
Sodium 2-ethylhexanoate
Nicht angegeben · C8H15NaO2
01Identität
| Lazychem ID | LC-64308 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 23672331 |
| Molecular formula | C8H15NaO2 |
| Molecular weight | 166.19 g/mol |
| IUPAC name | sodium 2-ethylhexanoate |
| InChIKey | VYPDUQYOLCLEGS-UHFFFAOYSA-M |
02Struktur und Stereochemie
2D structurePubChem CID 23672331
The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCCC(CC)C(=O)[O-].[Na+] |
|---|---|
| InChI | Nicht angegeben |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status in Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen und Beziehungen
API und Ausgangsarzneistoff
Nicht angegeben
Namen und Beziehungen
06Quellen
- S01PubChem CID 23672331
Structure and machine-readable chemical identifiers.