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

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-[1-(1-methylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-(1-pentan-2-ylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[1-(1-methylbutyl)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)C2CCC(CC2)C3(CCCCC3)C(C)CCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3(CCCCC3)C(C)CCC)F)F

InChI

InChI=1S/C32H50F2O3/c1-4-6-7-8-9-13-23-36-27-19-20-28(30(34)29(27)33)37-31(35)25-15-17-26(18-16-25)32(24(3)14-5-2)21-11-10-12-22-32/h19-20,24-26H,4-18,21-23H2,1-3H3