7-[[2-[(Aminocarbonyl)Amino]-4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulpho-1-Anthryl)Amino]-2-Sulphophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,6-Trisulphonic Acid
[CAS# 93892-91-2]

Identification

• Name: 7-[[2-[(Aminocarbonyl)Amino]-4-[[4-[[5-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulpho-1-Anthryl)Amino]-2-Sulphophenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,6-Trisulphonic Acid
• Synonyms: 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfo-1-Anthryl)Amino]-2-Sulfo-Phenyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonic Acid; 7-[4-[[4-[[5-[(4-Amino-9,10-Dioxo-3-Sulfo-1-Anthryl)Amino]-2-Sulfophenyl]Amino]-6-Chl
• Molecular Formula: C₄₀H₂₈ClN₁₁O₁₈S₅
• Molecular Weight: 1146.48
• CAS Registry Number: 93892-91-2
• EINECS: 299-578-7
• SMILES: C1=C([S](O)(=O)=O)C(=C7C(=C1NC2=CC=C([S](O)(=O)=O)C(=C2)NC3=NC(=NC(=N3)NC6=CC=C(N=NC5=CC4=C([S](O)(=O)=O)C=C([S](O)(=O)=O)C=C4C=C5[S](O)(=O)=O)C(=C6)NC(=O)N)Cl)C(=O)C8=C(C7=O)C=CC=C8)N
• InChI: 1S/C40H28ClN11O18S5/c41-37-48-39(45-18-5-7-23(24(11-18)46-38(43)55)51-52-26-14-22-16(10-30(26)74(65,66)67)9-19(71(56,57)58)13-29(22)73(62,63)64)50-40(49-37)47-25-12-17(6-8-28(25)72(59,60)61)44-27-15-31(75(68,69)70)34(42)33-32(27)35(53)20-3-1-2-4-21(20)36(
• InChIKey: BTOVZOFJXVYECN-UHFFFAOYSA-N

Properties

• Density: 2.013g/cm³ (Cal.)