3-fluoranyl-4-methyl-5-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 3-benzylsulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 3-benzylsulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-benzylsulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C15H13FO4S MolecularWeight: 308.324723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CC=C2)C(=O)O)F

InChI

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