methyl 6-chloranyl-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate

Systemtic Name: methyl 6-chloranyl-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate Openeye Name: methyl 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate CAS Name: 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxin-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate Traditional Name: 6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxin-2-carboxylic acid methyl ester Formula: C18H14ClF3O4 MolecularWeight: 386.74957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)OC)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)OC)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14ClF3O4/c1-17(10-4-3-5-11(8-10)18(20,21)22)13-9-12(19)6-7-14(13)25-16(26-17)15(23)24-2/h3-9,16H,1-2H3