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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)C#N

InChI

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