methyl 4-(4-fluorophenyl)-2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(4-fluorophenyl)-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-(4-fluorophenyl)-2-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-(4-fluorophenyl)-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C16H15FO4S MolecularWeight: 322.351303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FO4S/c1-10-8-14(11-4-6-12(17)7-5-11)15(22(3,19)20)9-13(10)16(18)21-2/h4-9H,1-3H3