2,6-bis[3-fluoranyl-4-(4-propylphenyl)phenyl]-9,10-di(undecoxy)anthracene

Systemtic Name: 2,6-bis[3-fluoranyl-4-(4-propylphenyl)phenyl]-9,10-di(undecoxy)anthracene Openeye Name: 2,6-bis[3-fluoro-4-(4-propylphenyl)phenyl]-9,10-di(undecoxy)anthracene CAS Name: 2,6-bis[3-fluoro-4-(4-propylphenyl)phenyl]-9,10-di(undecoxy)anthracene IUPAC Name: 2,6-bis[3-fluoro-4-(4-propylphenyl)phenyl]-9,10-di(undecoxy)anthracene Traditional Name: 2,6-bis[3-fluoro-4-(4-propylphenyl)phenyl]-9,10-di(undecoxy)anthracene Formula: C66H80F2O2 MolecularWeight: 943.337006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C2C=C(C=CC2=C(C3=C1C=CC(=C3)C4=CC(=C(C=C4)C5=CC=C(C=C5)CCC)F)OCCCCCCCCCCC)C6=CC(=C(C=C6)C7=CC=C(C=C7)CCC)F

Isomeric SMILES

CCCCCCCCCCCOC1=C2C=C(C=CC2=C(C3=C1C=CC(=C3)C4=CC(=C(C=C4)C5=CC=C(C=C5)CCC)F)OCCCCCCCCCCC)C6=CC(=C(C=C6)C7=CC=C(C=C7)CCC)F

InChI

InChI=1S/C66H80F2O2/c1-5-9-11-13-15-17-19-21-23-43-69-65-59-41-37-54(56-36-40-58(64(68)48-56)52-33-29-50(26-8-4)30-34-52)46-62(59)66(70-44-24-22-20-18-16-14-12-10-6-2)60-42-38-53(45-61(60)65)55-35-39-57(63(67)47-55)51-31-27-49(25-7-3)28-32-51/h27-42,45-48H,5-26,43-44H2,1-4H3