(12bR,12cS)-6-bromanyl-12b,12c-dimethyl-benzo[a]pyrene

Systemtic Name: (12bR,12cS)-6-bromanyl-12b,12c-dimethyl-benzo[a]pyrene Openeye Name: (12bR,12cS)-6-bromo-12b,12c-dimethyl-benzo[a]pyrene CAS Name: (12bR,12cS)-6-bromo-12b,12c-dimethylbenzo[a]pyrene IUPAC Name: (12bR,12cS)-6-bromo-12b,12c-dimethylbenzo[a]pyrene Traditional Name: (12bR,12cS)-6-bromo-12b,12c-dimethyl-benzo[a]pyrene Formula: C22H17Br MolecularWeight: 361.27438

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=C(C5=CC=CC=C54)Br)C=CC2=CC=C3)C

Isomeric SMILES

C[C@]12C3=CC=C4[C@@]1(C(=C(C5=CC=CC=C54)Br)C=CC2=CC=C3)C

InChI

InChI=1S/C22H17Br/c1-21-14-6-5-7-15(21)11-13-19-20(23)17-9-4-3-8-16(17)18(12-10-14)22(19,21)2/h3-13H,1-2H3/t21-,22-/m1/s1