1-[1-(2-fluoranyl-4-heptyl-phenoxy)carbonyl-4-pentyl-cyclooctyl]cyclooctane-1-carboxylic acid

Systemtic Name: 1-[1-(2-fluoranyl-4-heptyl-phenoxy)carbonyl-4-pentyl-cyclooctyl]cyclooctane-1-carboxylic acid Openeye Name: 1-[1-(2-fluoro-4-heptyl-phenoxy)carbonyl-4-pentyl-cyclooctyl]cyclooctanecarboxylic acid CAS Name: 1-[1-[(2-fluoro-4-heptylphenoxy)-oxomethyl]-4-pentylcyclooctyl]-1-cyclooctanecarboxylic acid IUPAC Name: 1-[1-(2-fluoro-4-heptylphenoxy)carbonyl-4-pentylcyclooctyl]cyclooctane-1-carboxylic acid Traditional Name: 1-[4-amyl-1-(2-fluoro-4-heptyl-phenoxy)carbonyl-cyclooctyl]cyclooctanecarboxylic acid Formula: C36H57FO4 MolecularWeight: 572.833783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC(CC2)CCCCC)C3(CCCCCCC3)C(=O)O)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC(CC2)CCCCC)C3(CCCCCCC3)C(=O)O)F

InChI

InChI=1S/C36H57FO4/c1-3-5-7-9-13-20-30-21-22-32(31(37)28-30)41-34(40)36(35(33(38)39)24-15-10-8-11-16-25-35)26-17-14-19-29(23-27-36)18-12-6-4-2/h21-22,28-29H,3-20,23-27H2,1-2H3,(H,38,39)