(2-cyano-4-heptyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-heptyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-heptyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(CC)CCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(CC)CCCC)C#N

InChI

InChI=1S/C35H49NO2/c1-4-7-9-10-11-13-28-16-23-34(33(25-28)26-36)38-35(37)32-21-19-31(20-22-32)30-17-14-29(15-18-30)24-27(6-3)12-8-5-2/h16,19-23,25,27,29-30H,4-15,17-18,24H2,1-3H3