5-(4-dodecoxyphenyl)pyrazine-2-carboxylate

Systemtic Name: 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate Openeye Name: 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-dodecoxyphenyl)-2-pyrazinecarboxylate IUPAC Name: 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-lauryloxyphenyl)pyrazinate Formula: C23H31N2O3- MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C23H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-28-20-14-12-19(13-15-20)21-17-25-22(18-24-21)23(26)27/h12-15,17-18H,2-11,16H2,1H3,(H,26,27)/p-1