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

Systemtic Name: [2,3-bis(fluoranyl)-4-pentyl-phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-pentyl-phenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-propylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-pentylphenyl) ester IUPAC Name: (2,3-difluoro-4-pentylphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylcyclohexyl)cyclohexanecarboxylic acid (4-amyl-2,3-difluoro-phenyl) ester Formula: C27H40F2O2 MolecularWeight: 434.602106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)F)F

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)F)F

InChI

InChI=1S/C27H40F2O2/c1-3-5-6-8-22-17-18-24(26(29)25(22)28)31-27(30)23-15-13-21(14-16-23)20-11-9-19(7-4-2)10-12-20/h17-21,23H,3-16H2,1-2H3