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(2-cyano-4-nonyl-phenyl) 4-(4-butylcyclohexyl)benzoate

(2-cyano-4-nonyl-phenyl) 4-(4-butylcyclohexyl)benzoate

Systemtic Name:(2-cyano-4-nonyl-phenyl) 4-(4-butylcyclohexyl)benzoate
Openeye Name:(2-cyano-4-nonyl-phenyl) 4-(4-butylcyclohexyl)benzoate
CAS Name:4-(4-butylcyclohexyl)benzoic acid (2-cyano-4-nonylphenyl) ester
IUPAC Name:(2-cyano-4-nonylphenyl) 4-(4-butylcyclohexyl)benzoate
Traditional Name:4-(4-butylcyclohexyl)benzoic acid (2-cyano-4-nonyl-phenyl) ester
Formula: C33H45NO2
MolecularWeight: 487.7159
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCC)C#N


Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCC)C#N


InChI

InChI=1S/C33H45NO2/c1-3-5-7-8-9-10-11-13-27-16-23-32(31(24-27)25-34)36-33(35)30-21-19-29(20-22-30)28-17-14-26(15-18-28)12-6-4-2/h16,19-24,26,28H,3-15,17-18H2,1-2H3


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