2-(2-(2,5-Dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl)-1-ethyl-3,3-dimethyl-5-(phenylsulphonyl)-3H-indolium toluene-p-sulphonate
[CAS# 70714-82-8]

Identification

• Name: 2-(2-(2,5-Dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl)-1-ethyl-3,3-dimethyl-5-(phenylsulphonyl)-3H-indolium toluene-p-sulphonate
• Synonyms: 4-[(E)-2-(1-Ethyl-3,3-Dimethyl-5-Phenylsulfonyl-Indol-1-Ium-2-Yl)Vinyl]-2-Methyl-3-Phenyl-Isoxazol-5-One; 4-Methylbenzenesulfonic Acid; 4-[(E)-2-(1-Ethyl-3,3-Dimethyl-5-Phenylsulfonyl-2-Indol-1-Iumyl)Vinyl]-2-Methyl-3-Phenyl-5-Isoxazolone; 4-Methylbenzenesulfonic Acid; 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; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₃₇H₃₇N₂O₇S₂
• Molecular Weight: 685.83
• CAS Registry Number: 70714-82-8
• EINECS: 274-807-3
• SMILES: C2=C([S](=O)(=O)C1=CC=CC=C1)C=CC3=C2C(C(=[N+]3CC)C=CC4=C(N(OC4=O)C)C5=CC=CC=C5)(C)C.C6=C([S](O)(=O)=O)C=CC(=C6)C
• InChI: 1S/C30H29N2O4S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h6-20H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1
• InChIKey: CQFDBBTZXKBNIX-UHFFFAOYSA-N