3-[(2,6-Dimethylphenyl)Amino]-6-[(2,6-Dimethylsulfophenyl)Amino]-9-(2-Sulfophenyl)-Xanthylium Inner Salt Sodium Salt (1:1)
[CAS# 12220-28-9]

Identification

• Name: 3-[(2,6-Dimethylphenyl)Amino]-6-[(2,6-Dimethylsulfophenyl)Amino]-9-(2-Sulfophenyl)-Xanthylium Inner Salt Sodium Salt (1:1)
• Synonyms: Xanthylium, 3-[(2,6-Dimethylphenyl) Amino]-6-[(2,6-Dimethylsulfophenyl)Amino]-9-(2-Sulfophenyl)-, Inner Salt, Monosodium Salt; Xanthylium,3-[(2,6-Dimethylphenyl)Amino]-6-[(2,6-Dimethylsulfophenyl)Amino]-9-(2-Sulfophenyl)-,Inner Salt,Monosodium Salt; Xanthylium,3-[(2,6-Dimethylphenyl)Amino]-6-[(2,6-Dimethylsulfophenyl)Amino]-9-(2-Sulfophenyl)-,Innersalt,Monosodiumsalt
• Molecular Formula: C₃₅H₂₉N₂NaO₇S₂
• Molecular Weight: 676.73
• CAS Registry Number: 12220-28-9
• EINECS: 235-407-4
• SMILES: Cc1ccc(c(c1Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2S(=O)(=O)[O-])ccc(c1)Nc1c(C)cccc1C)C)S(=O)(=O)[O-].[Na+]
• InChI: 1S/C35H30N2O7S2.Na/c1-20-8-7-9-21(2)34(20)36-24-13-15-26-29(18-24)44-30-19-25(37-35-22(3)12-17-31(23(35)4)45(38,39)40)14-16-27(30)33(26)28-10-5-6-11-32(28)46(41,42)43;/h5-19,36-37H,1-4H3,(H-,38,