(2-cyano-4-nonyl-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-nonyl-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Openeye Name: (2-cyano-4-nonyl-phenyl) 4-[4-(1-methylpentyl)cyclohexyl]benzoate CAS Name: 4-(4-hexan-2-ylcyclohexyl)benzoic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Traditional Name: 4-[4-(1-methylpentyl)cyclohexyl]benzoic acid (2-cyano-4-nonyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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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)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C35H49NO2/c1-4-6-8-9-10-11-12-14-28-15-24-34(33(25-28)26-36)38-35(37)32-22-20-31(21-23-32)30-18-16-29(17-19-30)27(3)13-7-5-2/h15,20-25,27,29-30H,4-14,16-19H2,1-3H3