(4-octoxyphenyl) 4-(3-cyano-4-octan-2-yloxy-phenyl)benzoate

Systemtic Name: (4-octoxyphenyl) 4-(3-cyano-4-octan-2-yloxy-phenyl)benzoate Openeye Name: (4-octoxyphenyl) 4-[3-cyano-4-(1-methylheptoxy)phenyl]benzoate CAS Name: 4-(3-cyano-4-octan-2-yloxyphenyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(3-cyano-4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[3-cyano-4-(1-methylheptoxy)phenyl]benzoic acid (4-octoxyphenyl) ester Formula: C36H45NO4 MolecularWeight: 555.7468

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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)OC(C)CCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C36H45NO4/c1-4-6-8-10-11-13-25-39-33-20-22-34(23-21-33)41-36(38)30-17-15-29(16-18-30)31-19-24-35(32(26-31)27-37)40-28(3)14-12-9-7-5-2/h15-24,26,28H,4-14,25H2,1-3H3