2,3-bis(5,5-dimethyl-1-oxidanidyl-2-phenyl-imidazol-1-ium-4-yl)-1,4-diphenyl-butane-1,4-dione

Systemtic Name: 2,3-bis(5,5-dimethyl-1-oxidanidyl-2-phenyl-imidazol-1-ium-4-yl)-1,4-diphenyl-butane-1,4-dione Openeye Name: 2,3-bis(5,5-dimethyl-1-oxido-2-phenyl-imidazol-1-ium-4-yl)-1,4-diphenyl-butane-1,4-dione CAS Name: 2,3-bis(5,5-dimethyl-1-oxido-2-phenyl-4-imidazol-1-iumyl)-1,4-diphenylbutane-1,4-dione IUPAC Name: 2,3-bis(5,5-dimethyl-1-oxido-2-phenylimidazol-1-ium-4-yl)-1,4-diphenylbutane-1,4-dione Traditional Name: 2,3-bis(5,5-dimethyl-1-oxido-2-phenyl-imidazol-1-ium-4-yl)-1,4-diphenyl-butane-1,4-dione Formula: C38H34N4O4 MolecularWeight: 610.70096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=[N+]1[O-])C2=CC=CC=C2)C(C(C3=NC(=[N+](C3(C)C)[O-])C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1(C(=NC(=[N+]1[O-])C2=CC=CC=C2)C(C(C3=NC(=[N+](C3(C)C)[O-])C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C38H34N4O4/c1-37(2)33(39-35(41(37)45)27-21-13-7-14-22-27)29(31(43)25-17-9-5-10-18-25)30(32(44)26-19-11-6-12-20-26)34-38(3,4)42(46)36(40-34)28-23-15-8-16-24-28/h5-24,29-30H,1-4H3