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

Systemtic Name: [2,3-bis(fluoranyl)-4-pentyl-phenyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-pentyl-phenyl) 4-(4-heptylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-heptylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-pentylphenyl) ester IUPAC Name: (2,3-difluoro-4-pentylphenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptylcyclohexyl)cyclohexanecarboxylic acid (4-amyl-2,3-difluoro-phenyl) ester Formula: C31H48F2O2 MolecularWeight: 490.708426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)CCCCC)F)F

InChI

InChI=1S/C31H48F2O2/c1-3-5-7-8-10-11-23-13-15-24(16-14-23)25-17-19-27(20-18-25)31(34)35-28-22-21-26(12-9-6-4-2)29(32)30(28)33/h21-25,27H,3-20H2,1-2H3