Basic information
- Standard SMILES
CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1- InChIKey
QLBBSWVGCKBKNV-UHFFFAOYSA-N- Molecular formula
- C23H18F3NO10S2
- Average molar mass
- 589.5 g/mol
Names & identifiers
- Preferred name
- {4-[4-(2-Nitro-4-trifluoromethanesulfonyl-phenoxy)-benzenesulfonyl]-phenoxy}-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]sulfonylphenoxy]acetate
Names & synonyms
{4-[4-(2-nitro-4-trifluoromethanesulfonyl-phenoxy)-benzenesulfonyl]-phenoxy}-acetic acid ethyl esterSCHEMBL6000377
Database identifiers
- PubChem CID
- 9873218
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
4 records
Compound notes
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