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

Systemtic Name: (2-cyano-4-decyl-phenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Openeye Name: (2-cyano-4-decyl-phenyl) 4-[4-(1-methylpentyl)cyclohexyl]benzoate CAS Name: 4-(4-hexan-2-ylcyclohexyl)benzoic acid (2-cyano-4-decylphenyl) ester IUPAC Name: (2-cyano-4-decylphenyl) 4-(4-hexan-2-ylcyclohexyl)benzoate Traditional Name: 4-[4-(1-methylpentyl)cyclohexyl]benzoic acid (2-cyano-4-decyl-phenyl) ester Formula: C36H51NO2 MolecularWeight: 529.79564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C(C)CCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C(C)CCCC)C#N

InChI

InChI=1S/C36H51NO2/c1-4-6-8-9-10-11-12-13-15-29-16-25-35(34(26-29)27-37)39-36(38)33-23-21-32(22-24-33)31-19-17-30(18-20-31)28(3)14-7-5-2/h16,21-26,28,30-31H,4-15,17-20H2,1-3H3