2-[2-(2,3-Dihydro-1,5-Dimethyl-3-Oxo-2-Phenyl-1H-Pyrazol-4-Yl)-3-(3,6-Dimethyl-3H-Benzoxazol-2-Ylidene)Prop-1-Enyl]-3,6-Dimethylbenzoxazolium Iodide
[CAS# 83803-40-1]

Identification

• Name: 2-[2-(2,3-Dihydro-1,5-Dimethyl-3-Oxo-2-Phenyl-1H-Pyrazol-4-Yl)-3-(3,6-Dimethyl-3H-Benzoxazol-2-Ylidene)Prop-1-Enyl]-3,6-Dimethylbenzoxazolium Iodide
• Synonyms: 4-[(Z)-2-(3,6-Dimethyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)-1-[(E)-(3,6-Dimethyl-1,3-Benzoxazol-2-Ylidene)Methyl]Vinyl]-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One Iodide; 4-[(Z)-2-(3,6-Dimethyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)-1-[(E)-(3,6-Dimethyl-1,3-Benzoxazol-2-Ylidene)Methyl]Vinyl]-1,5-Dimethyl-2-Phenyl-3-Pyrazolone Iodide; 4-[(Z,3E)-1-(3,6-Dimethyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)-3-(3,6-Dimethyl-1,3-Benzoxazol-2-Ylidene)Prop-1-En-2-Yl]-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One Iodide
• Molecular Formula: C₃₂H₃₃IN₄O₃
• Molecular Weight: 648.54
• CAS Registry Number: 83803-40-1
• EINECS: 280-857-7
• SMILES: [OH+]1C(N(C2=C1C=C(C=C2)C)C)\C=C(C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)\C=C5\OC6=C(N5C)C=CC(=C6)C.[I-]
• InChI: 1S/C32H32N4O3.HI/c1-20-12-14-25-27(16-20)38-29(33(25)4)18-23(19-30-34(5)26-15-13-21(2)17-28(26)39-30)31-22(3)35(6)36(32(31)37)24-10-8-7-9-11-24;/h7-19,29H,1-6H3;1H/b23-18-,30-19+
• InChIKey: MPHZZEDJABTUKU-RVZJQARBSA-N