Toluidine Bule
[CAS# 3209-30-1]

Identification

• Classification: Dyes and pigments >> Dyes >> Basic dye
• Name: Toluidine Bule
• Synonyms: Disodium 2-[[4,8-Dihydroxy-5-[(4-Methyl-2-Sulfonato-Phenyl)Amino]-9,10-Dioxo-1-Anthryl]Amino]-5-Methyl-Benzenesulfonate; Disodium 2-[[4,8-Dihydroxy-5-[(4-Methyl-2-Sulfonatophenyl)Amino]-9,10-Dioxo-1-Anthryl]Amino]-5-Methylbenzenesulfonate; Disodium 2-[[4,8-Dihydroxy-9,10-Diketo-5-[(4-Methyl-2-Sulfonato-Phenyl)Amino]-1-Anthryl]Amino]-5-Methyl-Benzenesulfonate
• Molecular Formula: C₂₈H₂₀N₂Na₂O₁₀S₂
• Molecular Weight: 654.57
• CAS Registry Number: 3209-30-1
• EINECS: 221-718-2
• SMILES: C4=C(C1=C(C(C2=C(C1=O)C(=CC=C2NC3=C(C=C(C)C=C3)[S](=O)(=O)[O-])O)=O)C(=C4)O)NC5=CC=C(C=C5[S](=O)(=O)[O-])C.[Na+].[Na+]
• InChI: 1S/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-9-19(31)25-23(17)27(33)26-20(32)10-8-18(24(26)28(25)34)30-16-6-4-14(2)12-22(16)42(38,39)40;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2
• InChIKey: LSOBEVFVUSIMGA-UHFFFAOYSA-L