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

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

Systemtic Name:(2-cyano-4-nonyl-phenyl) 4-(4-methylcyclohexyl)benzoate
Openeye Name:(2-cyano-4-nonyl-phenyl) 4-(4-methylcyclohexyl)benzoate
CAS Name:4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-nonylphenyl) ester
IUPAC Name:(2-cyano-4-nonylphenyl) 4-(4-methylcyclohexyl)benzoate
Traditional Name:4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-nonyl-phenyl) ester
Formula: C30H39NO2
MolecularWeight: 445.63616
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H39NO2/c1-3-4-5-6-7-8-9-10-24-13-20-29(28(21-24)22-31)33-30(32)27-18-16-26(17-19-27)25-14-11-23(2)12-15-25/h13,16-21,23,25H,3-12,14-15H2,1-2H3


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