5-[(3-fluorophenyl)methylsulfonyl]-2-methyl-benzoic acid

Systemtic Name: 5-[(3-fluorophenyl)methylsulfonyl]-2-methyl-benzoic acid Openeye Name: 5-[(3-fluorophenyl)methylsulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(3-fluorophenyl)methylsulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[(3-fluorophenyl)methylsulfonyl]-2-methylbenzoic acid Traditional Name: 5-(3-fluorobenzyl)sulfonyl-2-methyl-benzoic acid Formula: C15H13FO4S MolecularWeight: 308.324723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC(=CC=C2)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC(=CC=C2)F)C(=O)O

InChI

InChI=1S/C15H13FO4S/c1-10-5-6-13(8-14(10)15(17)18)21(19,20)9-11-3-2-4-12(16)7-11/h2-8H,9H2,1H3,(H,17,18)