Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-trifluoromethylsulfonyloxy-naphthalen-2-yl)azo]benzoate

HCID 22323756

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

Related reactions

29 records

Linked notes

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