2-(fluoranylmethyl)-4-(4-methylphenyl)-3-methylsulfonyl-benzoic acid

Systemtic Name: 2-(fluoranylmethyl)-4-(4-methylphenyl)-3-methylsulfonyl-benzoic acid Openeye Name: 2-(fluoromethyl)-3-methylsulfonyl-4-(p-tolyl)benzoic acid CAS Name: 2-(fluoromethyl)-4-(4-methylphenyl)-3-methylsulfonylbenzoic acid IUPAC Name: 2-(fluoromethyl)-4-(4-methylphenyl)-3-methylsulfonylbenzoic acid Traditional Name: 2-(fluoromethyl)-3-mesyl-4-(p-tolyl)benzoic acid Formula: C16H15FO4S MolecularWeight: 322.351303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)CF)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)CF)S(=O)(=O)C

InChI

InChI=1S/C16H15FO4S/c1-10-3-5-11(6-4-10)12-7-8-13(16(18)19)14(9-17)15(12)22(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)