9,10-diethynyl-9,10-dimethoxy-2,3,6,7-tetrakis(4-nonylphenyl)anthracene

Systemtic Name: 9,10-diethynyl-9,10-dimethoxy-2,3,6,7-tetrakis(4-nonylphenyl)anthracene Openeye Name: 9,10-diethynyl-9,10-dimethoxy-2,3,6,7-tetrakis(4-nonylphenyl)anthracene CAS Name: 9,10-diethynyl-9,10-dimethoxy-2,3,6,7-tetrakis(4-nonylphenyl)anthracene IUPAC Name: 9,10-diethynyl-9,10-dimethoxy-2,3,6,7-tetrakis(4-nonylphenyl)anthracene Traditional Name: 9,10-diethynyl-9,10-dimethoxy-2,3,6,7-tetrakis(4-nonylphenyl)anthracene Formula: C80H104O2 MolecularWeight: 1097.68056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)CCCCCCCCC)C(C5=C(C3(C#C)OC)C=C(C(=C5)C6=CC=C(C=C6)CCCCCCCCC)C7=CC=C(C=C7)CCCCCCCCC)(C#C)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)CCCCCCCCC)C(C5=C(C3(C#C)OC)C=C(C(=C5)C6=CC=C(C=C6)CCCCCCCCC)C7=CC=C(C=C7)CCCCCCCCC)(C#C)OC

InChI

InChI=1S/C80H104O2/c1-9-15-19-23-27-31-35-39-63-43-51-67(52-44-63)71-59-75-76(60-72(71)68-53-45-64(46-54-68)40-36-32-28-24-20-16-10-2)80(14-6,82-8)78-62-74(70-57-49-66(50-58-70)42-38-34-30-26-22-18-12-4)73(61-77(78)79(75,13-5)81-7)69-55-47-65(48-56-69)41-37-33-29-25-21-17-11-3/h5-6,43-62H,9-12,15-42H2,1-4,7-8H3