4-[6-[2-fluoranyl-4,5-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[2-fluoranyl-4,5-bis(oxidanyl)phenyl]hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2-fluoro-4,5-dihydroxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2-fluoro-4,5-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2-fluoro-4,5-dihydroxyphenyl)hexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2-fluoro-4,5-dihydroxy-phenyl)hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C22H27FO6 MolecularWeight: 406.444583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=CC(=C(C=C2F)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC2=CC(=C(C=C2F)O)O

InChI

InChI=1S/C22H27FO6/c1-2-7-15-20(10-9-16(21(15)26)22(27)28)29-11-6-4-3-5-8-14-12-18(24)19(25)13-17(14)23/h9-10,12-13,24-26H,2-8,11H2,1H3,(H,27,28)