Trisodium 1-Amino-4-[3-[[4-Chloro-6-(3-Sulphonatoanilino)-1,3,5-Triazin-2-Yl]Amino]-4-Sulphonatoanilino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 23422-12-0]

Identification

• Name: Trisodium 1-Amino-4-[3-[[4-Chloro-6-(3-Sulphonatoanilino)-1,3,5-Triazin-2-Yl]Amino]-4-Sulphonatoanilino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(3-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-4-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₉H₁₇ClN₇Na₃O₁₁S₃
• Molecular Weight: 840.10
• CAS Registry Number: 23422-12-0
• EINECS: 245-651-3
• SMILES: C1=C([S]([O-])(=O)=O)C(=C5C(=C1NC2=CC(=C([S]([O-])(=O)=O)C=C2)NC3=NC(=NC(=N3)Cl)NC4=CC(=CC=C4)[S]([O-])(=O)=O)C(=O)C6=C(C5=O)C=CC=C6)N.[Na+].[Na+].[Na+]
• InChI: 1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
• InChIKey: ROHGQIQUQCTSOK-UHFFFAOYSA-K