(4-cyano-4-heptyl-cyclohexyl) 4-(4-nonoxyphenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-nonoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-nonoxyphenyl)benzoate CAS Name: 4-(4-nonoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-nonoxyphenyl)benzoate Traditional Name: 4-(4-nonoxyphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C36H51NO3 MolecularWeight: 545.79504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C36H51NO3/c1-3-5-7-9-10-12-14-28-39-33-21-19-31(20-22-33)30-15-17-32(18-16-30)35(38)40-34-23-26-36(29-37,27-24-34)25-13-11-8-6-4-2/h15-22,34H,3-14,23-28H2,1-2H3