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

Systemtic Name: (2-cyano-4-hexyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-hexyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-hexyl-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(CC)CCCC)C#N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC(CC)CCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-7-9-10-12-27-15-22-33(32(24-27)25-35)37-34(36)31-20-18-30(19-21-31)29-16-13-28(14-17-29)23-26(6-3)11-8-5-2/h15,18-22,24,26,28-29H,4-14,16-17,23H2,1-3H3