[2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid (2,3-difluoro-4-octoxy-phenyl) ester Formula: C32H50F2O3 MolecularWeight: 520.734406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCCCC)F)F

InChI

InChI=1S/C32H50F2O3/c1-3-5-7-8-9-11-23-36-28-21-22-29(31(34)30(28)33)37-32(35)27-19-17-26(18-20-27)25-15-13-24(14-16-25)12-10-6-4-2/h21-22,24-27H,3-20,23H2,1-2H3