1-bromanyl-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-(4-methoxyphenyl)benzene

Systemtic Name: 1-bromanyl-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-(4-methoxyphenyl)benzene Openeye Name: 1-bromo-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-(4-methoxyphenyl)benzene CAS Name: 1-bromo-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-(4-methoxyphenyl)benzene IUPAC Name: 1-bromo-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-(4-methoxyphenyl)benzene Traditional Name: 1-bromo-2,5-bis[2-(4-lauryloxyphenyl)ethynyl]-4-(4-methoxyphenyl)benzene Formula: C53H67BrO3 MolecularWeight: 832.00128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC(=C(C=C2Br)C#CC3=CC=C(C=C3)OCCCCCCCCCCCC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC(=C(C=C2Br)C#CC3=CC=C(C=C3)OCCCCCCCCCCCC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C53H67BrO3/c1-4-6-8-10-12-14-16-18-20-22-40-56-50-34-26-44(27-35-50)24-30-47-43-53(54)48(42-52(47)46-32-38-49(55-3)39-33-46)31-25-45-28-36-51(37-29-45)57-41-23-21-19-17-15-13-11-9-7-5-2/h26-29,32-39,42-43H,4-23,40-41H2,1-3H3