Basic information
- CAS
59138-54-4- Standard SMILES
CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1- InChIKey
ZQNXIOFTAVFDAC-UHFFFAOYSA-N- Molecular formula
- C26H25NO7
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.16310214
Names & identifiers
- Preferred name
- 4-[(4-Nitrobenzoyl)oxy]phenyl 4-(hexyloxy)benzoate
- IUPAC
- [4-(4-hexoxybenzoyl)oxyphenyl] 4-nitrobenzoate
Names & synonyms
59138-54-4NSC2870794-[(4-Nitrobenzoyl)oxy]phenyl 4-(hexyloxy)benzoateDTXSID70314666NSC-287079
Database identifiers
- CAS
59138-54-4- PubChem CID
- 323905
- DTXSID
DTXSID70314666- Nikkaji
- J1.790.793J
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 640
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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