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

Systemtic Name: (4-hexylphenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-hexylphenyl) 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-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 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-hexylphenyl) ester Formula: C26H34FNO2 MolecularWeight: 411.552063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C26H34FNO2/c1-2-3-4-6-9-22-14-18-25(19-15-22)30-26(29)23-16-12-21(13-17-23)10-7-5-8-11-24(27)20-28/h5,8,11,14-15,18-19,21,23H,2-4,6-7,9-10,12-13,16-17H2,1H3/b8-5+,24-11+