2-(4-nitrophenyl)-5-(4-octadecoxyphenyl)pyrimidine

Systemtic Name: 2-(4-nitrophenyl)-5-(4-octadecoxyphenyl)pyrimidine Openeye Name: 2-(4-nitrophenyl)-5-(4-octadecoxyphenyl)pyrimidine CAS Name: 2-(4-nitrophenyl)-5-(4-octadecoxyphenyl)pyrimidine IUPAC Name: 2-(4-nitrophenyl)-5-(4-octadecoxyphenyl)pyrimidine Traditional Name: 2-(4-nitrophenyl)-5-(4-stearyloxyphenyl)pyrimidine Formula: C34H47N3O3 MolecularWeight: 545.75528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C34H47N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-40-33-24-20-29(21-25-33)31-27-35-34(36-28-31)30-18-22-32(23-19-30)37(38)39/h18-25,27-28H,2-17,26H2,1H3