Basic information
- Standard SMILES
CCCc1c(OCc2ccc(C(O)c3cccc(C(=O)[O-])c3)cc2)ccc(C(C)=O)c1O.[Na+]- InChIKey
VUWOWDHCKNKPDZ-UHFFFAOYSA-M- Molecular formula
- C26H25NaO6
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.15488279
Names & identifiers
- Preferred name
- Sodium 3-{[4-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-hydroxy-methyl}-benzoate
- IUPAC
- sodium 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-hydroxymethyl]benzoate
Names & synonyms
SCHEMBL481074VUWOWDHCKNKPDZ-UHFFFAOYSA-Msodium 3-{[4-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-hydroxy-methyl}-benzoate
Database identifiers
- PubChem CID
- 66699537
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 620
Related reactions
3 records
Compound notes
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