7-(4-fluorophenyl)-7-[3-(hydroxymethyl)-2,4,5-trimethyl-6-oxidanyl-phenyl]heptanoic acid

Systemtic Name: 7-(4-fluorophenyl)-7-[3-(hydroxymethyl)-2,4,5-trimethyl-6-oxidanyl-phenyl]heptanoic acid Openeye Name: 7-(4-fluorophenyl)-7-[2-hydroxy-5-(hydroxymethyl)-3,4,6-trimethyl-phenyl]heptanoic acid CAS Name: 7-(4-fluorophenyl)-7-[2-hydroxy-5-(hydroxymethyl)-3,4,6-trimethylphenyl]heptanoic acid IUPAC Name: 7-(4-fluorophenyl)-7-[2-hydroxy-5-(hydroxymethyl)-3,4,6-trimethylphenyl]heptanoic acid Traditional Name: 7-(4-fluorophenyl)-7-(2-hydroxy-3,4,6-trimethyl-5-methylol-phenyl)enanthic acid Formula: C23H29FO4 MolecularWeight: 388.472363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)O)C(CCCCCC(=O)O)C2=CC=C(C=C2)F)C)CO

Isomeric SMILES

CC1=C(C(=C(C(=C1C)O)C(CCCCCC(=O)O)C2=CC=C(C=C2)F)C)CO

InChI

InChI=1S/C23H29FO4/c1-14-15(2)23(28)22(16(3)20(14)13-25)19(7-5-4-6-8-21(26)27)17-9-11-18(24)12-10-17/h9-12,19,25,28H,4-8,13H2,1-3H3,(H,26,27)