[4-(4-cyanophenyl)phenyl] 4-hexylbenzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-hexylbenzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H25NO2 MolecularWeight: 383.4822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H25NO2/c1-2-3-4-5-6-20-7-13-24(14-8-20)26(28)29-25-17-15-23(16-18-25)22-11-9-21(19-27)10-12-22/h7-18H,2-6H2,1H3