methyl 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C18H14F6O4S MolecularWeight: 440.356779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H14F6O4S/c1-9-4-14(15(29(3,26)27)8-13(9)16(25)28-2)10-5-11(17(19,20)21)7-12(6-10)18(22,23)24/h4-8H,1-3H3