1-[(10bR,10cR)-5-ethanoyl-10b,10c-dimethyl-pyren-4-yl]ethanone

Systemtic Name: 1-[(10bR,10cR)-5-ethanoyl-10b,10c-dimethyl-pyren-4-yl]ethanone Openeye Name: 1-[(10bR,10cR)-5-acetyl-10b,10c-dimethyl-pyren-4-yl]ethanone CAS Name: 1-[(10bR,10cR)-5-acetyl-10b,10c-dimethyl-4-pyrenyl]ethanone IUPAC Name: 1-[(10bR,10cR)-5-acetyl-10b,10c-dimethylpyren-4-yl]ethanone Traditional Name: 1-[(10bR,10cR)-5-acetyl-10b,10c-dimethyl-pyren-4-yl]ethanone Formula: C22H20O2 MolecularWeight: 316.393

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC3=CC=C4C=CC=C1C4(C32C)C)C(=O)C

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC3=CC=C4C=CC=C1[C@@]4([C@]32C)C)C(=O)C

InChI

InChI=1S/C22H20O2/c1-13(23)19-17-9-5-7-15-11-12-16-8-6-10-18(20(19)14(2)24)22(16,4)21(15,17)3/h5-12H,1-4H3/t21-,22-/m1/s1