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

Systemtic Name: [2,3-bis(fluoranyl)-4-heptyl-phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-heptyl-phenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-propylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-heptylphenyl) ester IUPAC Name: (2,3-difluoro-4-heptylphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylcyclohexyl)cyclohexanecarboxylic acid (2,3-difluoro-4-heptyl-phenyl) ester Formula: C29H44F2O2 MolecularWeight: 462.655266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)F)F

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)F)F

InChI

InChI=1S/C29H44F2O2/c1-3-5-6-7-8-10-24-19-20-26(28(31)27(24)30)33-29(32)25-17-15-23(16-18-25)22-13-11-21(9-4-2)12-14-22/h19-23,25H,3-18H2,1-2H3