4,5-bis(fluoranyl)benzo[a]pyrene

Systemtic Name: 4,5-bis(fluoranyl)benzo[a]pyrene Openeye Name: 4,5-difluorobenzo[a]pyrene CAS Name: 4,5-difluorobenzo[a]pyrene IUPAC Name: 4,5-difluorobenzo[a]pyrene Traditional Name: 4,5-difluorobenzo[a]pyrene Formula: C20H10F2 MolecularWeight: 288.290206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C4C(=CC2=C1)C(=C(C5=CC=CC(=C54)C=C3)F)F

Isomeric SMILES

C1=CC=C2C3=C4C(=CC2=C1)C(=C(C5=CC=CC(=C54)C=C3)F)F

InChI

InChI=1S/C20H10F2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10H