(4-heptylphenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C27H36FNO2 MolecularWeight: 425.578643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C27H36FNO2/c1-2-3-4-5-7-10-23-15-19-26(20-16-23)31-27(30)24-17-13-22(14-18-24)11-8-6-9-12-25(28)21-29/h6,9,12,15-16,19-20,22,24H,2-5,7-8,10-11,13-14,17-18H2,1H3/b9-6+,25-12+