Basic information
- Standard SMILES
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CCC3(C)C)cc1- InChIKey
JFQAHLARFFQQEE-UHFFFAOYSA-N- Molecular formula
- C22H21F3N2O5S
- Average molar mass
- 482.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-trifluoromethylsulfonyloxy-naphthalen-2-yl)azo]benzoate
- IUPAC
- ethyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoate
Names & synonyms
ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-trifluoromethylsulfonyloxy-naphthalen-2-yl)azo]benzoateSCHEMBL6240887SCHEMBL6240892ethyl 4-[(5,6-dihydro-5,5-dimethyl-8- (trifluoromethylsulfonyl)oxy-2-naphthalenyl)azo]-benzoateethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)azo]-benzoate
Database identifiers
- PubChem CID
- 22323756
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 871
Related reactions
29 records
Linked notes
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