(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-oxidanylxanthene-9-carboxylate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-oxidanylxanthene-9-carboxylate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-hydroxyxanthene-9-carboxylate bromide CAS Name: 9-hydroxy-9-xanthenecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 9-hydroxyxanthene-9-carboxylate bromide Traditional Name: 9-hydroxyxanthene-9-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(CC1C=C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CC(CC1C=C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O)C.[Br-]

InChI

InChI=1S/C23H24NO4.BrH/c1-24(2)15-11-12-16(24)14-17(13-15)27-22(25)23(26)18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)23;/h3-12,15-17,26H,13-14H2,1-2H3;1H/q+1;/p-1