methyl 2-[bis(fluoranyl)methyl]-4-hexyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-[bis(fluoranyl)methyl]-4-hexyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-(difluoromethyl)-4-hexyl-5-methylsulfonyl-benzoate CAS Name: 2-(difluoromethyl)-4-hexyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-(difluoromethyl)-4-hexyl-5-methylsulfonylbenzoate Traditional Name: 2-(difluoromethyl)-4-hexyl-5-mesyl-benzoic acid methyl ester Formula: C16H22F2O4S MolecularWeight: 348.405286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C(F)F)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C(F)F)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H22F2O4S/c1-4-5-6-7-8-11-9-12(15(17)18)13(16(19)22-2)10-14(11)23(3,20)21/h9-10,15H,4-8H2,1-3H3