1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-didodecyl-benzene

Systemtic Name: 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-didodecyl-benzene Openeye Name: 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-didodecyl-benzene CAS Name: 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-didodecylbenzene IUPAC Name: 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-didodecylbenzene Traditional Name: 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-dilauryl-benzene Formula: C46H60Br2 MolecularWeight: 772.7766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1C#CC2=CC=C(C=C2)Br)CCCCCCCCCCCC)C#CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1C#CC2=CC=C(C=C2)Br)CCCCCCCCCCCC)C#CC3=CC=C(C=C3)Br

InChI

InChI=1S/C46H60Br2/c1-3-5-7-9-11-13-15-17-19-21-23-41-37-44(32-26-40-29-35-46(48)36-30-40)42(24-22-20-18-16-14-12-10-8-6-4-2)38-43(41)31-25-39-27-33-45(47)34-28-39/h27-30,33-38H,3-24H2,1-2H3