methyl 5-methylsulfonyl-4-pentyl-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 5-methylsulfonyl-4-pentyl-2-(trifluoromethyl)benzoate Openeye Name: methyl 5-methylsulfonyl-4-pentyl-2-(trifluoromethyl)benzoate CAS Name: 5-methylsulfonyl-4-pentyl-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-4-pentyl-2-(trifluoromethyl)benzoate Traditional Name: 4-amyl-5-mesyl-2-(trifluoromethyl)benzoic acid methyl ester Formula: C15H19F3O4S MolecularWeight: 352.36917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C(F)(F)F)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C(F)(F)F)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C15H19F3O4S/c1-4-5-6-7-10-8-12(15(16,17)18)11(14(19)22-2)9-13(10)23(3,20)21/h8-9H,4-7H2,1-3H3