methyl 1-[3,6-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate

Systemtic Name: methyl 1-[3,6-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate Openeye Name: methyl 1-[3,6-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate CAS Name: 1-[3,6-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 1-[3,6-dimethyl-2-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate Traditional Name: 1-(3,6-dimethyl-2-triflyloxy-phenyl)naphthalene-2-carboxylic acid methyl ester Formula: C21H17F3O5S MolecularWeight: 438.41689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OS(=O)(=O)C(F)(F)F)C2=C(C=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OS(=O)(=O)C(F)(F)F)C2=C(C=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H17F3O5S/c1-12-8-9-13(2)19(29-30(26,27)21(22,23)24)17(12)18-15-7-5-4-6-14(15)10-11-16(18)20(25)28-3/h4-11H,1-3H3