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

Systemtic Name: (4-octoxyphenyl) 4-(3-cyano-4-hexyl-phenyl)benzoate Openeye Name: (4-octoxyphenyl) 4-(3-cyano-4-hexyl-phenyl)benzoate CAS Name: 4-(3-cyano-4-hexylphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(3-cyano-4-hexylphenyl)benzoate Traditional Name: 4-(3-cyano-4-hexyl-phenyl)benzoic acid (4-octoxyphenyl) ester Formula: C34H41NO3 MolecularWeight: 511.69424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41NO3/c1-3-5-7-9-10-12-24-37-32-20-22-33(23-21-32)38-34(36)29-17-14-28(15-18-29)30-19-16-27(31(25-30)26-35)13-11-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3