[4-(4-hexoxyphenyl)phenyl] 3-cyano-4-(4-octylphenyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCC)C#N

InChI

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