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

Systemtic Name: 7-(2-fluorophenyl)-7-(2,4,5-trimethyl-6-oxidanyl-3-pentanoyl-phenyl)heptanoic acid Openeye Name: 7-(2-fluorophenyl)-7-(2-hydroxy-3,4,6-trimethyl-5-pentanoyl-phenyl)heptanoic acid CAS Name: 7-(2-fluorophenyl)-7-[2-hydroxy-3,4,6-trimethyl-5-(1-oxopentyl)phenyl]heptanoic acid IUPAC Name: 7-(2-fluorophenyl)-7-(2-hydroxy-3,4,6-trimethyl-5-pentanoylphenyl)heptanoic acid Traditional Name: 7-(2-fluorophenyl)-7-(2-hydroxy-3,4,6-trimethyl-5-valeryl-phenyl)enanthic acid Formula: C27H35FO4 MolecularWeight: 442.562803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C(=C1C)C(CCCCCC(=O)O)C2=CC=CC=C2F)O)C)C

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C(=C1C)C(CCCCCC(=O)O)C2=CC=CC=C2F)O)C)C

InChI

InChI=1S/C27H35FO4/c1-5-6-15-23(29)25-17(2)18(3)27(32)26(19(25)4)21(13-8-7-9-16-24(30)31)20-12-10-11-14-22(20)28/h10-12,14,21,32H,5-9,13,15-16H2,1-4H3,(H,30,31)