(4R,5R)-6-bromanyl-4,5-dihydrobenzo[a]pyrene-4,5-diol

Systemtic Name: (4R,5R)-6-bromanyl-4,5-dihydrobenzo[a]pyrene-4,5-diol Openeye Name: (4R,5R)-6-bromo-4,5-dihydrobenzo[a]pyrene-4,5-diol CAS Name: (4R,5R)-6-bromo-4,5-dihydrobenzo[a]pyrene-4,5-diol IUPAC Name: (4R,5R)-6-bromo-4,5-dihydrobenzo[a]pyrene-4,5-diol Traditional Name: (4R,5R)-6-bromo-4,5-dihydrobenzo[a]pyrene-4,5-diol Formula: C20H13BrO2 MolecularWeight: 365.22002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2Br)C(C(C5=CC=CC(=C54)C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2Br)[C@H]([C@@H](C5=CC=CC(=C54)C=C3)O)O

InChI

InChI=1S/C20H13BrO2/c21-18-13-6-2-1-5-11(13)12-9-8-10-4-3-7-14-15(10)16(12)17(18)20(23)19(14)22/h1-9,19-20,22-23H/t19-,20-/m1/s1