tert-butyl 6-butyl-6-chloranyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: tert-butyl 6-butyl-6-chloranyl-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate Openeye Name: tert-butyl 6-butyl-6-chloro-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-butyl-6-chloro-4-(trifluoromethyl)-1-cyclohexa-2,4-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-butyl-6-chloro-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-butyl-6-chloro-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid tert-butyl ester Formula: C16H22ClF3O2 MolecularWeight: 338.79289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C=CC1C(=O)OC(C)(C)C)C(F)(F)F)Cl

Isomeric SMILES

CCCCC1(C=C(C=CC1C(=O)OC(C)(C)C)C(F)(F)F)Cl

InChI

InChI=1S/C16H22ClF3O2/c1-5-6-9-15(17)10-11(16(18,19)20)7-8-12(15)13(21)22-14(2,3)4/h7-8,10,12H,5-6,9H2,1-4H3