1-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-10-pyren-1-yl-pyren-4-yl]ethanone

Systemtic Name: 1-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-10-pyren-1-yl-pyren-4-yl]ethanone Openeye Name: 1-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-10-pyren-1-yl-pyren-4-yl]ethanone CAS Name: 1-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-10-(1-pyrenyl)-4-pyrenyl]ethanone IUPAC Name: 1-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-10-pyren-1-ylpyren-4-yl]ethanone Traditional Name: 1-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-10-pyren-1-yl-pyren-4-yl]ethanone Formula: C44H42O MolecularWeight: 586.80368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=C(C=C3C2(C4(C(=CC(=CC4=C1)C(C)(C)C)C=C3C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C)C(C)(C)C

Isomeric SMILES

CC(=O)C1=C2C=C(C=C3[C@@]2([C@]4(C(=CC(=CC4=C1)C(C)(C)C)C=C3C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C)C(C)(C)C

InChI

InChI=1S/C44H42O/c1-25(45)35-21-31-19-29(41(2,3)4)20-32-22-36(38-24-30(42(5,6)7)23-37(35)44(38,9)43(31,32)8)33-17-15-28-14-13-26-11-10-12-27-16-18-34(33)40(28)39(26)27/h10-24H,1-9H3/t43-,44-/m1/s1