Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 72214-18-7]

Identification

• Name: Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(2-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(2-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(2-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₂H₂₃ClN₇Na₃O₁₁S₃
• Molecular Weight: 882.18
• CAS Registry Number: 72214-18-7
• EINECS: 276-481-8
• SMILES: C1=C([S]([O-])(=O)=O)C(=C5C(=C1NC2=C(C(=C(C(=C2C)NC3=NC(=NC(=N3)NC4=CC=CC=C4[S]([O-])(=O)=O)Cl)C)[S]([O-])(=O)=O)C)C(=O)C6=C(C5=O)C=CC=C6)N.[Na+].[Na+].[Na+]
• InChI: 1S/C32H26ClN7O11S3.3Na/c1-13-25(35-19-12-21(53(46,47)48)24(34)23-22(19)27(41)16-8-4-5-9-17(16)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)36-18-10-6-7-11-20(18)52(43,44)45;;;/h4-12,35H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,36,37,38,39,40);;;/q;3*+1/p-3
• InChIKey: GWZGQKXBZOLBKS-UHFFFAOYSA-K