(3E)-5,7-ditert-butyl-3-(phenylmethylidene)-1,3-benzoxazol-3-ium-2-one

Systemtic Name: (3E)-5,7-ditert-butyl-3-(phenylmethylidene)-1,3-benzoxazol-3-ium-2-one Openeye Name: (3E)-3-benzylidene-5,7-ditert-butyl-1,3-benzoxazol-3-ium-2-one CAS Name: (3E)-5,7-ditert-butyl-3-(phenylmethylene)-1,3-benzoxazol-3-ium-2-one IUPAC Name: (3E)-3-benzylidene-5,7-ditert-butyl-1,3-benzoxazol-3-ium-2-one Traditional Name: (3E)-3-benzal-5,7-ditert-butyl-1,3-benzoxazol-3-ium-2-one Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)[N+](=CC3=CC=CC=C3)C(=O)O2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)/[N+](=C\C3=CC=CC=C3)/C(=O)O2)C(C)(C)C

InChI

InChI=1S/C22H26NO2/c1-21(2,3)16-12-17(22(4,5)6)19-18(13-16)23(20(24)25-19)14-15-10-8-7-9-11-15/h7-14H,1-6H3/q+1/b23-14+