(4R,5R)-9-fluoranyl-4,5-dihydrobenzo[a]pyrene-4,5-diol

Systemtic Name: (4R,5R)-9-fluoranyl-4,5-dihydrobenzo[a]pyrene-4,5-diol Openeye Name: (4R,5R)-9-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol CAS Name: (4R,5R)-9-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol IUPAC Name: (4R,5R)-9-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol Traditional Name: (4R,5R)-9-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol Formula: C20H13FO2 MolecularWeight: 304.314423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(C(C4=C3C(=C5C=C(C=CC5=C4)F)C=C2)O)O

Isomeric SMILES

C1=CC2=C3C(=C1)[C@H]([C@@H](C4=C3C(=C5C=C(C=CC5=C4)F)C=C2)O)O

InChI

InChI=1S/C20H13FO2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19(22)20(16)23/h1-9,19-20,22-23H/t19-,20-/m1/s1