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(4-octylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate

(4-octylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate

Systemtic Name:(4-octylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate
Openeye Name:(4-octylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate
CAS Name:2-cyano-4-(4-pentylcyclohexyl)benzoic acid (4-octylphenyl) ester
IUPAC Name:(4-octylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate
Traditional Name:4-(4-amylcyclohexyl)-2-cyano-benzoic acid (4-octylphenyl) ester
Formula: C33H45NO2
MolecularWeight: 487.7159
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)CCCCC)C#N


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)CCCCC)C#N


InChI

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


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