(3E)-5,7-ditert-butyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-5,7-ditert-butyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-5,7-ditert-butyl-3-[(3,4,5-trimethoxyphenyl)methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-5,7-ditert-butyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-5,7-ditert-butyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-5,7-ditert-butyl-3-(3,4,5-trimethoxybenzylidene)-2H-1,3-benzoxazol-3-ium Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)[N+](=CC3=CC(=C(C(=C3)OC)OC)OC)CO2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)/[N+](=C\C3=CC(=C(C(=C3)OC)OC)OC)/CO2)C(C)(C)C

InChI

InChI=1S/C25H34NO4/c1-24(2,3)17-12-18(25(4,5)6)22-19(13-17)26(15-30-22)14-16-10-20(27-7)23(29-9)21(11-16)28-8/h10-14H,15H2,1-9H3/q+1/b26-14-