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

Systemtic Name: 4-[6-(2-fluoranyl-4,5-dimethoxy-phenyl)-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(2-fluoro-4,5-dimethoxy-phenyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(2-fluoro-4,5-dimethoxyphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(2-fluoro-4,5-dimethoxyphenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(2-fluoro-4,5-dimethoxy-phenyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C24H29FO7 MolecularWeight: 448.481263

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H29FO7/c1-4-8-15-20(11-10-16(23(15)27)24(28)29)32-12-7-5-6-9-19(26)17-13-21(30-2)22(31-3)14-18(17)25/h10-11,13-14,27H,4-9,12H2,1-3H3,(H,28,29)