1-(1-fluoranylcyclooctyl)-4-pentyl-2-(4-pentylphenyl)cyclooctane-1-carboxylate

Systemtic Name: 1-(1-fluoranylcyclooctyl)-4-pentyl-2-(4-pentylphenyl)cyclooctane-1-carboxylate Openeye Name: 1-(1-fluorocyclooctyl)-4-pentyl-2-(4-pentylphenyl)cyclooctanecarboxylate CAS Name: 1-(1-fluorocyclooctyl)-4-pentyl-2-(4-pentylphenyl)-1-cyclooctanecarboxylate IUPAC Name: 1-(1-fluorocyclooctyl)-4-pentyl-2-(4-pentylphenyl)cyclooctane-1-carboxylate Traditional Name: 4-amyl-2-(4-amylphenyl)-1-(1-fluorocyclooctyl)cyclooctanecarboxylate Formula: C33H52FO2- MolecularWeight: 499.763183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCCC(C(C1)C2=CC=C(C=C2)CCCCC)(C(=O)[O-])C3(CCCCCCC3)F

Isomeric SMILES

CCCCCC1CCCCC(C(C1)C2=CC=C(C=C2)CCCCC)(C(=O)[O-])C3(CCCCCCC3)F

InChI

InChI=1S/C33H53FO2/c1-3-5-10-16-27-19-21-29(22-20-27)30-26-28(17-11-6-4-2)18-12-15-25-33(30,31(35)36)32(34)23-13-8-7-9-14-24-32/h19-22,28,30H,3-18,23-26H2,1-2H3,(H,35,36)/p-1