tert-butyl 4'-(trifluoromethylsulfonyloxy)spiro[azepane-4,2'-chromene]-1-carboxylate

Systemtic Name: tert-butyl 4'-(trifluoromethylsulfonyloxy)spiro[azepane-4,2'-chromene]-1-carboxylate Openeye Name: tert-butyl 4'-(trifluoromethylsulfonyloxy)spiro[azepane-4,2'-chromene]-1-carboxylate CAS Name: 4-(trifluoromethylsulfonyloxy)-1'-spiro[1-benzopyran-2,4'-azepane]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4'-(trifluoromethylsulfonyloxy)spiro[azepane-4,2'-chromene]-1-carboxylate Traditional Name: 4'-triflyloxyspiro[azepane-4,2'-chromene]-1-carboxylic acid tert-butyl ester Formula: C20H24F3NO6S MolecularWeight: 463.46787

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2(CC1)C=C(C3=CC=CC=C3O2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2(CC1)C=C(C3=CC=CC=C3O2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H24F3NO6S/c1-18(2,3)29-17(25)24-11-6-9-19(10-12-24)13-16(30-31(26,27)20(21,22)23)14-7-4-5-8-15(14)28-19/h4-5,7-8,13H,6,9-12H2,1-3H3