1,1-bis(fluoranyl)-2,3,4,5,6,6a-hexakis-phenyl-pentalene

Systemtic Name: 1,1-bis(fluoranyl)-2,3,4,5,6,6a-hexakis-phenyl-pentalene Openeye Name: 1,1-difluoro-2,3,4,5,6,6a-hexakis-phenyl-pentalene CAS Name: 1,1-difluoro-2,3,4,5,6,6a-hexakis-phenylpentalene IUPAC Name: 1,1-difluoro-2,3,4,5,6,6a-hexakis-phenylpentalene Traditional Name: 1,1-difluoro-2,3,4,5,6,6a-hexakis-phenyl-pentalene Formula: C44H30F2 MolecularWeight: 596.705806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3(C(=C2C4=CC=CC=C4)C(=C(C3(F)F)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3(C(=C2C4=CC=CC=C4)C(=C(C3(F)F)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H30F2/c45-44(46)41(35-27-15-5-16-28-35)39(33-23-11-3-12-24-33)42-38(32-21-9-2-10-22-32)37(31-19-7-1-8-20-31)40(34-25-13-4-14-26-34)43(42,44)36-29-17-6-18-30-36/h1-30H