(7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol

Systemtic Name: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol Openeye Name: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol CAS Name: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol IUPAC Name: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol Traditional Name: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol Formula: C20H14O3 MolecularWeight: 302.32336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C(C5O)O)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C([C@@H]([C@H]5O)O)O)C=C2

InChI

InChI=1S/C20H14O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-9,19-23H/t19-,20-/m0/s1