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

Systemtic Name: 4-[6-[2-fluoranyl-4,5-bis(oxidanyl)phenyl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2-fluoro-4,5-dihydroxy-phenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2-fluoro-4,5-dihydroxyphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2-fluoro-4,5-dihydroxyphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2-fluoro-4,5-dihydroxy-phenyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C22H25FO7 MolecularWeight: 420.428103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC(=C(C=C2F)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC(=C(C=C2F)O)O

InChI

InChI=1S/C22H25FO7/c1-2-6-13-20(9-8-14(21(13)27)22(28)29)30-10-5-3-4-7-17(24)15-11-18(25)19(26)12-16(15)23/h8-9,11-12,25-27H,2-7,10H2,1H3,(H,28,29)