4-[[1-Ethyl-1,3-Dihydro-3,3-Dimethyl-5-(Phenylsulphonyl)-2H-Indol-2-Ylidene]Ethylidene]-4,5-Dihydro-2-Methyl-5-Oxo-3-Phenylisoxazolium Iodide
[CAS# 68516-61-0]

Identification

• Name: 4-[[1-Ethyl-1,3-Dihydro-3,3-Dimethyl-5-(Phenylsulphonyl)-2H-Indol-2-Ylidene]Ethylidene]-4,5-Dihydro-2-Methyl-5-Oxo-3-Phenylisoxazolium Iodide
• Synonyms: 4-[(E)-2-[5-(Benzenesulfonyl)-1-Ethyl-3,3-Dimethyl-Indol-1-Ium-2-Yl]Vinyl]-2-Methyl-3-Phenyl-Isoxazol-5-One Iodide; 4-[(E)-2-[5-(Benzenesulfonyl)-1-Ethyl-3,3-Dimethyl-2-Indol-1-Iumyl]Vinyl]-2-Methyl-3-Phenyl-5-Isoxazolone Iodide; 4-[(E)-2-[1-Ethyl-3,3-Dimethyl-5-(Phenylsulfonyl)Indol-1-Ium-2-Yl]Ethenyl]-2-Methyl-3-Phenyl-1,2-Oxazol-5-One Iodide
• Molecular Formula: C₃₀H₂₉IN₂O₄S
• Molecular Weight: 640.53
• CAS Registry Number: 68516-61-0
• EINECS: 271-166-1
• SMILES: C2=C1C(C(N(C1=CC=C2[S](=O)(=O)C3=CC=CC=C3)CC)=CC=C4C(=[N+](OC4=O)C)C5=CC=CC=C5)(C)C.[I-]
• InChI: 1S/C30H29N2O4S.HI/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21;/h6-20H,5H2,1-4H3;1H/q+1;/p-1
• InChIKey: RBOAQJHVDJPEHQ-UHFFFAOYSA-M