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

Systemtic Name: methyl 2-(fluoranylmethyl)-5-methylsulfonyl-4-pentyl-benzoate Openeye Name: methyl 2-(fluoromethyl)-5-methylsulfonyl-4-pentyl-benzoate CAS Name: 2-(fluoromethyl)-5-methylsulfonyl-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 2-(fluoromethyl)-5-methylsulfonyl-4-pentylbenzoate Traditional Name: 4-amyl-2-(fluoromethyl)-5-mesyl-benzoic acid methyl ester Formula: C15H21FO4S MolecularWeight: 316.388243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FO4S/c1-4-5-6-7-11-8-12(10-16)13(15(17)20-2)9-14(11)21(3,18)19/h8-9H,4-7,10H2,1-3H3