Basic information
- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)cc(-c2ccc3ccc(-c4cc(C(=O)OCC)cc(C(=O)OCC)c4)cc3c2)c1- InChIKey
BCQMFWTZNPSJOO-UHFFFAOYSA-N- Molecular formula
- C34H32O8
- Average molar mass
- 568.6 g/mol
- Monoisotopic mass
- 568.20971797
Names & identifiers
- Preferred name
- Tetraethyl 5,5'-(naphthalene-2,7-diyl)diisophthalate
- IUPAC
- diethyl 5-[7-[3,5-bis(ethoxycarbonyl)phenyl]naphthalen-2-yl]benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL14743121BCQMFWTZNPSJOO-UHFFFAOYSA-NTetraethyl 5,5'-(naphthalene-2,7-diyl)diisophthalate
Database identifiers
- PubChem CID
- 71283170
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 809
Related reactions
2 records
Compound notes
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