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

Systemtic Name: methyl 6-[(4-methoxyphenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 6-[(4-methoxyphenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate CAS Name: 6-[(4-methoxyphenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-methoxyphenyl)methyl]-6-methyl-5-(trifluoromethylsulfonyloxy)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-methyl-6-p-anisyl-5-triflyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C18H19F3O6S MolecularWeight: 420.40007

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3O6S/c1-17(11-12-7-9-13(25-2)10-8-12)14(16(22)26-3)5-4-6-15(17)27-28(23,24)18(19,20)21/h5-10H,4,11H2,1-3H3