2-ethyl-4-(3-fluoranylphenoxy)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-ethyl-4-(3-fluoranylphenoxy)-5-methylsulfonyl-benzoic acid Openeye Name: 2-ethyl-4-(3-fluorophenoxy)-5-methylsulfonyl-benzoic acid CAS Name: 2-ethyl-4-(3-fluorophenoxy)-5-methylsulfonylbenzoic acid IUPAC Name: 2-ethyl-4-(3-fluorophenoxy)-5-methylsulfonylbenzoic acid Traditional Name: 2-ethyl-4-(3-fluorophenoxy)-5-mesyl-benzoic acid Formula: C16H15FO5S MolecularWeight: 338.350703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC(=CC=C2)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC(=CC=C2)F

InChI

InChI=1S/C16H15FO5S/c1-3-10-7-14(22-12-6-4-5-11(17)8-12)15(23(2,20)21)9-13(10)16(18)19/h4-9H,3H2,1-2H3,(H,18,19)