1-(2,7-ditert-butyl-9-ethanoyl-pyren-4-yl)ethanone

Systemtic Name: 1-(2,7-ditert-butyl-9-ethanoyl-pyren-4-yl)ethanone Openeye Name: 1-(9-acetyl-2,7-ditert-butyl-pyren-4-yl)ethanone CAS Name: 1-(9-acetyl-2,7-ditert-butyl-4-pyrenyl)ethanone IUPAC Name: 1-(9-acetyl-2,7-ditert-butylpyren-4-yl)ethanone Traditional Name: 1-(9-acetyl-2,7-ditert-butyl-pyren-4-yl)ethanone Formula: C28H30O2 MolecularWeight: 398.5366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=CC(=CC3=C(C=C4C=C(C=C1C4=C23)C(C)(C)C)C(=O)C)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC2=CC(=CC3=C(C=C4C=C(C=C1C4=C23)C(C)(C)C)C(=O)C)C(C)(C)C

InChI

InChI=1S/C28H30O2/c1-15(29)21-11-17-9-20(28(6,7)8)14-24-22(16(2)30)12-18-10-19(27(3,4)5)13-23(21)25(18)26(17)24/h9-14H,1-8H3