(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-6-yl) 9-oxidanylxanthene-9-carboxylate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-6-yl) 9-oxidanylxanthene-9-carboxylate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-6-yl) 9-hydroxyxanthene-9-carboxylate CAS Name: 9-hydroxy-9-xanthenecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-6-yl) ester IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-6-yl) 9-hydroxyxanthene-9-carboxylate Traditional Name: 9-hydroxyxanthene-9-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-6-yl) ester Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1C(C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)C

Isomeric SMILES

C[N+]1(C2CCCC1C(C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)C

InChI

InChI=1S/C23H26NO4/c1-24(2)15-8-7-11-18(24)21(14-15)28-22(25)23(26)16-9-3-5-12-19(16)27-20-13-6-4-10-17(20)23/h3-6,9-10,12-13,15,18,21,26H,7-8,11,14H2,1-2H3/q+1