methyl 6-[(4-cyanophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 6-[(4-cyanophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-[(4-cyanophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-[(4-cyanophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-cyanophenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-(4-cyanobenzyl)-6-methyl-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C18H16F3NO5S MolecularWeight: 415.38355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1(C(=CCC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H16F3NO5S/c1-17(10-12-6-8-13(11-22)9-7-12)14(16(23)26-2)4-3-5-15(17)27-28(24,25)18(19,20)21/h4-9H,3,10H2,1-2H3