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(2-cyano-4-hexan-2-yl-phenyl) 4-(4-heptylcyclohexyl)benzoate

(2-cyano-4-hexan-2-yl-phenyl) 4-(4-heptylcyclohexyl)benzoate

Systemtic Name:(2-cyano-4-hexan-2-yl-phenyl) 4-(4-heptylcyclohexyl)benzoate
Openeye Name:[2-cyano-4-(1-methylpentyl)phenyl] 4-(4-heptylcyclohexyl)benzoate
CAS Name:4-(4-heptylcyclohexyl)benzoic acid (2-cyano-4-hexan-2-ylphenyl) ester
IUPAC Name:(2-cyano-4-hexan-2-ylphenyl) 4-(4-heptylcyclohexyl)benzoate
Traditional Name:4-(4-heptylcyclohexyl)benzoic acid [2-cyano-4-(1-methylpentyl)phenyl] ester
Formula: C33H45NO2
MolecularWeight: 487.7159
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(C)CCCC)C#N


Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(C)CCCC)C#N


InChI

InChI=1S/C33H45NO2/c1-4-6-8-9-10-12-26-13-15-27(16-14-26)28-17-19-29(20-18-28)33(35)36-32-22-21-30(23-31(32)24-34)25(3)11-7-5-2/h17-23,25-27H,4-16H2,1-3H3


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