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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decylphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-decylphenyl)benzoate CAS Name: 4-(4-decylphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-decylphenyl)benzoate Traditional Name: 4-(4-decylphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C37H53NO2 MolecularWeight: 543.82222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C37H53NO2/c1-3-5-7-9-10-11-12-14-16-31-17-19-32(20-18-31)33-21-23-34(24-22-33)36(39)40-35-25-28-37(30-38,29-26-35)27-15-13-8-6-4-2/h17-24,35H,3-16,25-29H2,1-2H3