Basic information
- Standard SMILES
O=C([O-])CCCC/C=C(\c1ccccc1)c1cccnc1.[Na+]- InChIKey
IVKMUILXDBHGOP-SJDTYFKWSA-M- Molecular formula
- C18H18NNaO2
- Average molar mass
- 303.3 g/mol
Names & identifiers
- Preferred name
- sodium (E)-7-(3-pyridyl)-7-phenyl-6-heptenoate
- IUPAC
- sodium (E)-7-phenyl-7-pyridin-3-ylhept-6-enoate
Names & synonyms
IVKMUILXDBHGOP-SJDTYFKWSA-Msodium (E)-7-(3-pyridyl)-7-phenyl-6-heptenoate
Database identifiers
- PubChem CID
- 86742001
Properties
Computed structural properties
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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