Basic information
- CAS
5447-04-1- Standard SMILES
CCOC(=O)Oc1ccc(C(=O)OCCOC(=O)c2ccc(OC(=O)OCC)c(OC)c2)cc1OC- InChIKey
DRKRINMZUXQUNL-UHFFFAOYSA-N- Molecular formula
- C24H26O12
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.14242626
Names & identifiers
- Preferred name
- Ethane-1,2-diyl bis{4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate}
- IUPAC
- 2-(4-ethoxycarbonyloxy-3-methoxybenzoyl)oxyethyl 4-ethoxycarbonyloxy-3-methoxybenzoate
Names & synonyms
5447-04-1ethane-1,2-diyl bis{4-[(ethoxycarbonyl)oxy]-3-methoxybenzoate}NSC16751DTXSID60280422NSC-16751
Database identifiers
- CAS
5447-04-1- PubChem CID
- 226367
- DTXSID
DTXSID60280422
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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