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(2-cyano-4-hexyl-phenyl) 4-(4-pentylcyclohexyl)benzoate

(2-cyano-4-hexyl-phenyl) 4-(4-pentylcyclohexyl)benzoate

Systemtic Name:(2-cyano-4-hexyl-phenyl) 4-(4-pentylcyclohexyl)benzoate
Openeye Name:(2-cyano-4-hexyl-phenyl) 4-(4-pentylcyclohexyl)benzoate
CAS Name:4-(4-pentylcyclohexyl)benzoic acid (2-cyano-4-hexylphenyl) ester
IUPAC Name:(2-cyano-4-hexylphenyl) 4-(4-pentylcyclohexyl)benzoate
Traditional Name:4-(4-amylcyclohexyl)benzoic acid (2-cyano-4-hexyl-phenyl) ester
Formula: C31H41NO2
MolecularWeight: 459.66274
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCCC)C#N


Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCCC)C#N


InChI

InChI=1S/C31H41NO2/c1-3-5-7-9-11-25-14-21-30(29(22-25)23-32)34-31(33)28-19-17-27(18-20-28)26-15-12-24(13-16-26)10-8-6-4-2/h14,17-22,24,26H,3-13,15-16H2,1-2H3


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