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

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C26H40FNO2 MolecularWeight: 417.599703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C26H40FNO2/c1-2-3-4-6-9-21-12-16-23(17-13-21)26(29)30-25-18-14-22(15-19-25)10-7-5-8-11-24(27)20-28/h5,8,11,21-23,25H,2-4,6-7,9-10,12-19H2,1H3/b8-5+,24-11+