1-(8-methyl-8-azabicyclo[3.2.1]octan-6-yl)-9H-xanthene-9-carboperoxoic acid

Systemtic Name: 1-(8-methyl-8-azabicyclo[3.2.1]octan-6-yl)-9H-xanthene-9-carboperoxoic acid Openeye Name: 1-(8-methyl-8-azabicyclo[3.2.1]octan-6-yl)-9H-xanthene-9-carboperoxoic acid CAS Name: 1-(8-methyl-8-azabicyclo[3.2.1]octan-6-yl)-9H-xanthene-9-carboperoxoic acid IUPAC Name: 1-(8-methyl-8-azabicyclo[3.2.1]octan-6-yl)-9H-xanthene-9-carboperoxoic acid Traditional Name: 1-(8-methyl-8-azabicyclo[3.2.1]octan-6-yl)-9H-xanthene-9-carboperoxoic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCC1C(C2)C3=C4C(C5=CC=CC=C5OC4=CC=C3)C(=O)OO

Isomeric SMILES

CN1C2CCCC1C(C2)C3=C4C(C5=CC=CC=C5OC4=CC=C3)C(=O)OO

InChI

InChI=1S/C22H23NO4/c1-23-13-6-4-9-17(23)16(12-13)14-8-5-11-19-20(14)21(22(24)27-25)15-7-2-3-10-18(15)26-19/h2-3,5,7-8,10-11,13,16-17,21,25H,4,6,9,12H2,1H3