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

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-cyclohexyl-1-pentyl-cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-cyclohexyl-1-pentyl-cyclohexanecarboxylate CAS Name: 4-cyclohexyl-1-pentyl-1-cyclohexanecarboxylic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-cyclohexyl-1-pentylcyclohexane-1-carboxylate Traditional Name: 1-amyl-4-cyclohexyl-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)C2(CCC(CC2)C3CCCCC3)CCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2(CCC(CC2)C3CCCCC3)CCCCC)F)F

InChI

InChI=1S/C32H50F2O3/c1-3-5-7-8-9-14-24-36-27-17-18-28(30(34)29(27)33)37-31(35)32(21-13-6-4-2)22-19-26(20-23-32)25-15-11-10-12-16-25/h17-18,25-26H,3-16,19-24H2,1-2H3