[4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C24H30FNO2 MolecularWeight: 383.498903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

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