1,4-bis[2-(4-dodecan-4-yloxyphenyl)ethynyl]benzene

Systemtic Name: 1,4-bis[2-(4-dodecan-4-yloxyphenyl)ethynyl]benzene Openeye Name: 1,4-bis[2-[4-(1-propylnonoxy)phenyl]ethynyl]benzene CAS Name: 1,4-bis[2-(4-dodecan-4-yloxyphenyl)ethynyl]benzene IUPAC Name: 1,4-bis[2-(4-dodecan-4-yloxyphenyl)ethynyl]benzene Traditional Name: 1,4-bis[2-[4-(1-propylnonoxy)phenyl]ethynyl]benzene Formula: C46H62O2 MolecularWeight: 646.98328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(CCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(CCC)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC(CCC)CCCCCCCC

InChI

InChI=1S/C46H62O2/c1-5-9-11-13-15-17-21-43(19-7-3)47-45-35-31-41(32-36-45)29-27-39-23-25-40(26-24-39)28-30-42-33-37-46(38-34-42)48-44(20-8-4)22-18-16-14-12-10-6-2/h23-26,31-38,43-44H,5-22H2,1-4H3