[4-(4-octylcyclohexyl)cyclohexyl] 3-fluoranyl-4-nonoxy-benzoate

Systemtic Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-fluoranyl-4-nonoxy-benzoate Openeye Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-fluoro-4-nonoxy-benzoate CAS Name: 3-fluoro-4-nonoxybenzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-fluoro-4-nonoxybenzoate Traditional Name: 3-fluoro-4-nonoxy-benzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester Formula: C36H59FO3 MolecularWeight: 558.850263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCCCCC)F

InChI

InChI=1S/C36H59FO3/c1-3-5-7-9-11-13-15-27-39-35-26-23-32(28-34(35)37)36(38)40-33-24-21-31(22-25-33)30-19-17-29(18-20-30)16-14-12-10-8-6-4-2/h23,26,28-31,33H,3-22,24-25,27H2,1-2H3