13-(4-fluoranylphenoxy)-8-methylsulfonyl-12-oxidanyl-tridecanoic acid

Systemtic Name: 13-(4-fluoranylphenoxy)-8-methylsulfonyl-12-oxidanyl-tridecanoic acid Openeye Name: 13-(4-fluorophenoxy)-12-hydroxy-8-methylsulfonyl-tridecanoic acid CAS Name: 13-(4-fluorophenoxy)-12-hydroxy-8-methylsulfonyltridecanoic acid IUPAC Name: 13-(4-fluorophenoxy)-12-hydroxy-8-methylsulfonyltridecanoic acid Traditional Name: 13-(4-fluorophenoxy)-12-hydroxy-8-mesyl-tridecanoic acid Formula: C20H31FO6S MolecularWeight: 418.519943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=C(C=C1)F)O

Isomeric SMILES

CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=C(C=C1)F)O

InChI

InChI=1S/C20H31FO6S/c1-28(25,26)19(8-4-2-3-5-10-20(23)24)9-6-7-17(22)15-27-18-13-11-16(21)12-14-18/h11-14,17,19,22H,2-10,15H2,1H3,(H,23,24)