3,6-bis[2-(4-butoxyphenyl)ethynyl]pyridazine

Systemtic Name: 3,6-bis[2-(4-butoxyphenyl)ethynyl]pyridazine Openeye Name: 3,6-bis[2-(4-butoxyphenyl)ethynyl]pyridazine CAS Name: 3,6-bis[2-(4-butoxyphenyl)ethynyl]pyridazine IUPAC Name: 3,6-bis[2-(4-butoxyphenyl)ethynyl]pyridazine Traditional Name: 3,6-bis[2-(4-butoxyphenyl)ethynyl]pyridazine Formula: C28H28N2O2 MolecularWeight: 424.53412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C#CC2=NN=C(C=C2)C#CC3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C#CC2=NN=C(C=C2)C#CC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C28H28N2O2/c1-3-5-21-31-27-17-9-23(10-18-27)7-13-25-15-16-26(30-29-25)14-8-24-11-19-28(20-12-24)32-22-6-4-2/h9-12,15-20H,3-6,21-22H2,1-2H3