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

Systemtic Name: 7-(3-bromanyl-2,4,5-trimethyl-6-oxidanyl-phenyl)-7-(4-fluorophenyl)heptanoic acid Openeye Name: 7-(5-bromo-2-hydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoic acid CAS Name: 7-(5-bromo-2-hydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid IUPAC Name: 7-(5-bromo-2-hydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid Traditional Name: 7-(5-bromo-2-hydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthic acid Formula: C22H26BrFO3 MolecularWeight: 437.342443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C(CCCCCC(=O)O)C2=CC=C(C=C2)F)C)Br)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C(CCCCCC(=O)O)C2=CC=C(C=C2)F)C)Br)C

InChI

InChI=1S/C22H26BrFO3/c1-13-14(2)22(27)20(15(3)21(13)23)18(7-5-4-6-8-19(25)26)16-9-11-17(24)12-10-16/h9-12,18,27H,4-8H2,1-3H3,(H,25,26)