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

Systemtic Name: (4-hexylphenyl) 4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-hexylphenyl) 4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexanecarboxylic acid (4-hexylphenyl) ester Formula: C24H30FNO2 MolecularWeight: 383.498903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO2/c1-2-3-4-5-7-19-12-16-23(17-13-19)28-24(27)21-14-10-20(11-15-21)8-6-9-22(25)18-26/h6,8-9,12-13,16-17,20-21H,2-5,7,10-11,14-15H2,1H3/b8-6+,22-9+