[(10bS,10cR)-4,9-bis(bromanyl)-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-phenyl-methanone

Systemtic Name: [(10bS,10cR)-4,9-bis(bromanyl)-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-phenyl-methanone Openeye Name: [(10bS,10cR)-4,9-dibromo-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-phenyl-methanone CAS Name: [(10bS,10cR)-4,9-dibromo-7-tert-butyl-10b,10c-dimethyl-2-pyrenyl]-phenylmethanone IUPAC Name: [(10bS,10cR)-4,9-dibromo-7-tert-butyl-10b,10c-dimethylpyren-2-yl]-phenylmethanone Traditional Name: [(10bS,10cR)-4,9-dibromo-7-tert-butyl-10b,10c-dimethyl-pyren-2-yl]-phenyl-methanone Formula: C29H26Br2O MolecularWeight: 550.32414

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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=CC=C5)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=CC=C5)Br)C)Br

InChI

InChI=1S/C29H26Br2O/c1-27(2,3)19-13-21-16-24(30)22-12-18(26(32)17-9-7-6-8-10-17)11-20-15-25(31)23(14-19)29(21,5)28(20,22)4/h6-16H,1-5H3/t28-,29+/m1/s1