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2,7-bis(4,9-dioctylpyren-2-yl)-4,9-dioctyl-pyrene

2,7-bis(4,9-dioctylpyren-2-yl)-4,9-dioctyl-pyrene

Systemtic Name:2,7-bis(4,9-dioctylpyren-2-yl)-4,9-dioctyl-pyrene
Openeye Name:2,7-bis(4,9-dioctylpyren-2-yl)-4,9-dioctyl-pyrene
CAS Name:2,7-bis(4,9-dioctyl-2-pyrenyl)-4,9-dioctylpyrene
IUPAC Name:2,7-bis(4,9-dioctylpyren-2-yl)-4,9-dioctylpyrene
Traditional Name:2,7-bis(4,9-dioctylpyren-2-yl)-4,9-dioctyl-pyrene
Formula: C96H122
MolecularWeight: 1275.99588
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=CC(=CC3=C(C=C4C=CC=C1C4=C23)CCCCCCCC)C5=CC6=C7C(=C5)C=C(C8=C7C(=CC(=C8)C9=CC1=C(C=C2C=CC=C3C2=C1C(=C9)C=C3CCCCCCCC)CCCCCCCC)C=C6CCCCCCCC)CCCCCCCC


Isomeric SMILES

CCCCCCCCC1=CC2=CC(=CC3=C(C=C4C=CC=C1C4=C23)CCCCCCCC)C5=CC6=C7C(=C5)C=C(C8=C7C(=CC(=C8)C9=CC1=C(C=C2C=CC=C3C2=C1C(=C9)C=C3CCCCCCCC)CCCCCCCC)C=C6CCCCCCCC)CCCCCCCC


InChI

InChI=1S/C96H122/c1-7-13-19-25-31-37-45-69-57-81-61-77(65-87-71(47-39-33-27-21-15-9-3)55-75-51-43-53-85(69)91(75)93(81)87)79-63-83-59-74(50-42-36-30-24-18-12-6)90-68-80(64-84-60-73(49-41-35-29-23-17-11-5)89(67-79)95(83)96(84)90)78-62-82-58-70(46-38-32-26-20-14-8-2)86-54-44-52-76-56-72(48-40-34-28-22-16-10-4)88(66-78)94(82)92(76)86/h43-44,51-68H,7-42,45-50H2,1-6H3


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