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

Systemtic Name: (2-cyano-4-nonyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-nonyl-phenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate CAS Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 4-[4-(2-ethylhexyl)cyclohexyl]benzoate Traditional Name: 4-[4-(2-ethylhexyl)cyclohexyl]benzoic acid (2-cyano-4-nonyl-phenyl) ester Formula: C37H53NO2 MolecularWeight: 543.82222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H53NO2/c1-4-7-9-10-11-12-13-15-30-18-25-36(35(27-30)28-38)40-37(39)34-23-21-33(22-24-34)32-19-16-31(17-20-32)26-29(6-3)14-8-5-2/h18,21-25,27,29,31-32H,4-17,19-20,26H2,1-3H3