[4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-hexylphenyl)benzoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-hexylphenyl)benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-hexylphenyl)benzoate CAS Name: 3-cyano-4-(4-hexylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-hexylphenyl)benzoate Traditional Name: 3-cyano-4-(4-hexylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C40H45NO3 MolecularWeight: 587.7902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCC)C#N

InChI

InChI=1S/C40H45NO3/c1-3-5-7-9-10-12-28-43-37-23-18-32(19-24-37)33-20-25-38(26-21-33)44-40(42)35-22-27-39(36(29-35)30-41)34-16-14-31(15-17-34)13-11-8-6-4-2/h14-27,29H,3-13,28H2,1-2H3