2,5-bis[2-(4-octoxyphenyl)ethynyl]pyrimidine

Systemtic Name: 2,5-bis[2-(4-octoxyphenyl)ethynyl]pyrimidine Openeye Name: 2,5-bis[2-(4-octoxyphenyl)ethynyl]pyrimidine CAS Name: 2,5-bis[2-(4-octoxyphenyl)ethynyl]pyrimidine IUPAC Name: 2,5-bis[2-(4-octoxyphenyl)ethynyl]pyrimidine Traditional Name: 2,5-bis[2-(4-octoxyphenyl)ethynyl]pyrimidine Formula: C36H44N2O2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C#CC3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C#CC3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C36H44N2O2/c1-3-5-7-9-11-13-27-39-34-22-17-31(18-23-34)15-16-33-29-37-36(38-30-33)26-21-32-19-24-35(25-20-32)40-28-14-12-10-8-6-4-2/h17-20,22-25,29-30H,3-14,27-28H2,1-2H3