Basic information
- Standard SMILES
CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc([N+](=O)[O-])c2)c1CCC(=O)OCC- InChIKey
ZQUWALMSRPZCEI-UHFFFAOYSA-N- Molecular formula
- C36H43NO10
- Average molar mass
- 649.7 g/mol
Names & identifiers
- Preferred name
- 4-{3-[6-(3-Benzo[1,3]dioxol-5-yl-5-nitro-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester
- IUPAC
- ethyl 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-nitrophenoxy]hexyl]-2-(3-ethoxy-3-oxopropyl)phenoxy]butanoate
Names & synonyms
SCHEMBL1689723ZQUWALMSRPZCEI-UHFFFAOYSA-N4-{3-[6-(3-benzo[1,3]dioxol-5-yl-5-nitro-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 57586471
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 943
Related reactions
4 records
Compound notes
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