(2-fluoranyl-4-nonyl-phenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate

Systemtic Name: (2-fluoranyl-4-nonyl-phenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-nonyl-phenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-dodecylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-nonylphenyl) ester IUPAC Name: (2-fluoro-4-nonylphenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-laurylphenyl)pyrazinic acid (2-fluoro-4-nonyl-phenyl) ester Formula: C38H53FN2O2 MolecularWeight: 588.838023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCCC)F

InChI

InChI=1S/C38H53FN2O2/c1-3-5-7-9-11-12-13-15-16-18-20-31-22-25-33(26-23-31)35-29-41-36(30-40-35)38(42)43-37-27-24-32(28-34(37)39)21-19-17-14-10-8-6-4-2/h22-30H,3-21H2,1-2H3