4,5-dihydrobenzo[a]pyrene-4,5,9-triol

Systemtic Name: 4,5-dihydrobenzo[a]pyrene-4,5,9-triol Openeye Name: 4,5-dihydrobenzo[a]pyrene-4,5,9-triol CAS Name: 4,5-dihydrobenzo[a]pyrene-4,5,9-triol IUPAC Name: 4,5-dihydrobenzo[a]pyrene-4,5,9-triol Traditional Name: 4,5-dihydrobenzo[a]pyrene-4,5,9-triol Formula: C20H14O3 MolecularWeight: 302.32336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14O3/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/h1-9,19-23H