(7S,8S)-6-bromanyl-7,8-dihydrobenzo[a]pyrene-7,8-diol

Systemtic Name: (7S,8S)-6-bromanyl-7,8-dihydrobenzo[a]pyrene-7,8-diol Openeye Name: (7S,8S)-6-bromo-7,8-dihydrobenzo[a]pyrene-7,8-diol CAS Name: (7S,8S)-6-bromo-7,8-dihydrobenzo[a]pyrene-7,8-diol IUPAC Name: (7S,8S)-6-bromo-7,8-dihydrobenzo[a]pyrene-7,8-diol Traditional Name: (7S,8S)-6-bromo-7,8-dihydrobenzo[a]pyrene-7,8-diol Formula: C20H13BrO2 MolecularWeight: 365.22002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C5=C(C=CC(C5O)O)C(=C43)C=C2)Br

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C5=C(C=C[C@@H]([C@H]5O)O)C(=C43)C=C2)Br

InChI

InChI=1S/C20H13BrO2/c21-19-14-7-5-11-3-1-2-10-4-6-12(17(14)16(10)11)13-8-9-15(22)20(23)18(13)19/h1-9,15,20,22-23H/t15-,20+/m0/s1