methyl 2-fluoranyl-4-hexyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-fluoranyl-4-hexyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-fluoro-4-hexyl-5-methylsulfonyl-benzoate CAS Name: 2-fluoro-4-hexyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-fluoro-4-hexyl-5-methylsulfonylbenzoate Traditional Name: 2-fluoro-4-hexyl-5-mesyl-benzoic acid methyl ester Formula: C15H21FO4S MolecularWeight: 316.388243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FO4S/c1-4-5-6-7-8-11-9-13(16)12(15(17)20-2)10-14(11)21(3,18)19/h9-10H,4-8H2,1-3H3