3-(2-fluorophenyl)-4-hexoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-(2-fluorophenyl)-4-hexoxy-5,6,6-tris(oxidanyl)-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-(2-fluorophenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-(2-fluorophenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-(2-fluorophenyl)-4-hexoxy-5,6,6-trihydroxy-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-(2-fluorophenyl)-4-hexoxy-5,6,6-trihydroxy-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C22H29FO6 MolecularWeight: 408.460463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=CC=C2F

Isomeric SMILES

CCCCCCOC1=C(C=C(C(C1(CCC)O)(O)O)C(=O)O)C2=CC=CC=C2F

InChI

InChI=1S/C22H29FO6/c1-3-5-6-9-13-29-19-16(15-10-7-8-11-18(15)23)14-17(20(24)25)22(27,28)21(19,26)12-4-2/h7-8,10-11,14,26-28H,3-6,9,12-13H2,1-2H3,(H,24,25)