[(10bR,10cS)-4,9-bis(bromanyl)-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(10bR,10cS)-4,9-bis(bromanyl)-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-naphthalen-1-yl-methanone Openeye Name: [(10bR,10cS)-4,9-dibromo-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-(1-naphthyl)methanone CAS Name: [(10bR,10cS)-4,9-dibromo-7-tert-butyl-10b,10c-dimethyl-2-pyrenyl]-(1-naphthalenyl)methanone IUPAC Name: [(10bR,10cS)-4,9-dibromo-7-tert-butyl-10b,10c-dimethylpyren-2-yl]-naphthalen-1-ylmethanone Traditional Name: [(10bR,10cS)-4,9-dibromo-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-(1-naphthyl)methanone Formula: C33H28Br2O MolecularWeight: 600.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=C4C1(C(=CC(=C4)C(C)(C)C)C=C(C2=CC(=C3)C(=O)C5=CC=CC6=CC=CC=C65)Br)C)Br

Isomeric SMILES

C[C@@]12C3=CC(=C4[C@]1(C(=CC(=C4)C(C)(C)C)C=C(C2=CC(=C3)C(=O)C5=CC=CC6=CC=CC=C65)Br)C)Br

InChI

InChI=1S/C33H28Br2O/c1-31(2,3)21-15-23-18-28(34)26-14-20(30(36)25-12-8-10-19-9-6-7-11-24(19)25)13-22-17-29(35)27(16-21)33(23,5)32(22,26)4/h6-18H,1-5H3/t32-,33+/m0/s1