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

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-butylbenzoate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-butylbenzoate CAS Name: 4-butylbenzoic 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-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C24H30FNO2 MolecularWeight: 383.498903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C24H30FNO2/c1-2-3-7-19-10-14-21(15-11-19)24(27)28-23-16-12-20(13-17-23)8-5-4-6-9-22(25)18-26/h4,6,9-11,14-15,20,23H,2-3,5,7-8,12-13,16-17H2,1H3/b6-4+,22-9+