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

Systemtic Name: 1-bromanyl-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-iodanyl-benzene Openeye Name: 1-bromo-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-iodo-benzene CAS Name: 1-bromo-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-iodobenzene IUPAC Name: 1-bromo-2,5-bis[2-(4-dodecoxyphenyl)ethynyl]-4-iodobenzene Traditional Name: 1-bromo-4-iodo-2,5-bis[2-(4-lauryloxyphenyl)ethynyl]benzene Formula: C46H60BrIO2 MolecularWeight: 851.77587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC(=C(C=C2I)C#CC3=CC=C(C=C3)OCCCCCCCCCCCC)Br

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#CC2=CC(=C(C=C2I)C#CC3=CC=C(C=C3)OCCCCCCCCCCCC)Br

InChI

InChI=1S/C46H60BrIO2/c1-3-5-7-9-11-13-15-17-19-21-35-49-43-31-25-39(26-32-43)23-29-41-38-46(48)42(37-45(41)47)30-24-40-27-33-44(34-28-40)50-36-22-20-18-16-14-12-10-8-6-4-2/h25-28,31-34,37-38H,3-22,35-36H2,1-2H3