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

Systemtic Name: (4-octoxyphenyl) 4-(3-cyano-4-nonyl-phenyl)benzoate Openeye Name: (4-octoxyphenyl) 4-(3-cyano-4-nonyl-phenyl)benzoate CAS Name: 4-(3-cyano-4-nonylphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(3-cyano-4-nonylphenyl)benzoate Traditional Name: 4-(3-cyano-4-nonyl-phenyl)benzoic acid (4-octoxyphenyl) ester Formula: C37H47NO3 MolecularWeight: 553.77398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)C#N

InChI

InChI=1S/C37H47NO3/c1-3-5-7-9-11-12-14-16-30-19-22-33(28-34(30)29-38)31-17-20-32(21-18-31)37(39)41-36-25-23-35(24-26-36)40-27-15-13-10-8-6-4-2/h17-26,28H,3-16,27H2,1-2H3