[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-hexylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-hexylbenzoate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO2/c1-2-3-4-8-11-22-13-17-24(18-14-22)26(28)29-25-19-15-23(16-20-25)12-9-6-5-7-10-21-27/h5-7,10,13-14,17-18,23,25H,2-4,8-9,11-12,15-16,19-20H2,1H3/b6-5+,10-7+