(4-octoxyphenyl) 4-(3-cyano-4-octyl-phenyl)benzoate

Systemtic Name: (4-octoxyphenyl) 4-(3-cyano-4-octyl-phenyl)benzoate Openeye Name: (4-octoxyphenyl) 4-(3-cyano-4-octyl-phenyl)benzoate CAS Name: 4-(3-cyano-4-octylphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(3-cyano-4-octylphenyl)benzoate Traditional Name: 4-(3-cyano-4-octyl-phenyl)benzoic acid (4-octoxyphenyl) ester Formula: C36H45NO3 MolecularWeight: 539.7474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H45NO3/c1-3-5-7-9-11-13-15-29-18-21-32(27-33(29)28-37)30-16-19-31(20-17-30)36(38)40-35-24-22-34(23-25-35)39-26-14-12-10-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3