2-(7-tert-butyl-3-ethyl-pyren-1-yl)cyclohexan-1-one

Systemtic Name: 2-(7-tert-butyl-3-ethyl-pyren-1-yl)cyclohexan-1-one Openeye Name: 2-(7-tert-butyl-3-ethyl-pyren-1-yl)cyclohexanone CAS Name: 2-(7-tert-butyl-3-ethyl-1-pyrenyl)-1-cyclohexanone IUPAC Name: 2-(7-tert-butyl-3-ethylpyren-1-yl)cyclohexan-1-one Traditional Name: 2-(7-tert-butyl-3-ethyl-pyren-1-yl)cyclohexanone Formula: C28H30O MolecularWeight: 382.5372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC3=C4C2=C(C=CC4=CC(=C3)C(C)(C)C)C(=C1)C5CCCCC5=O

Isomeric SMILES

CCC1=C2C=CC3=C4C2=C(C=CC4=CC(=C3)C(C)(C)C)C(=C1)C5CCCCC5=O

InChI

InChI=1S/C28H30O/c1-5-17-16-24(22-8-6-7-9-25(22)29)23-13-11-19-15-20(28(2,3)4)14-18-10-12-21(17)27(23)26(18)19/h10-16,22H,5-9H2,1-4H3