[4-(2-fluoranyl-4-heptyl-phenyl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(2-fluoranyl-4-heptyl-phenyl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(2-fluoro-4-heptyl-phenyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(2-fluoro-4-heptylphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-heptylphenyl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(2-fluoro-4-heptyl-phenyl)phenyl] ester Formula: C31H43FO2 MolecularWeight: 466.670323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)F

InChI

InChI=1S/C31H43FO2/c1-3-5-7-8-10-12-25-15-22-29(30(32)23-25)26-18-20-28(21-19-26)34-31(33)27-16-13-24(14-17-27)11-9-6-4-2/h15,18-24,27H,3-14,16-17H2,1-2H3