Tetrasodium 3-{[1-(2,5-disulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-7-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1,5-naphthalenedisulfonate
[CAS# 72379-61-4]

Identification

• Name: Tetrasodium 3-{[1-(2,5-disulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-7-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1,5-naphthalenedisulfonate
• Synonyms: 1,5-Naphthalenedisulfonic acid, 3-[[1-(2,5-disulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-7-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, tetrasodium salt
• Molecular Formula: C₂₄H₁₂Cl₃N₇Na₄O₁₃S₄
• Molecular Weight: 932.97
• CAS Registry Number: 72379-61-4
• SMILES: CC1=NN(C(=O)C1N=Nc2cc3c(cc(cc3S(=O)(=O)[O-])Nc4c(c(nc(n4)Cl)Cl)Cl)c(c2)S(=O)(=O)[O-])c5cc(ccc5S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C24H16Cl3N7O13S4.4Na/c1-9-20(23(35)34(33-9)15-8-12(48(36,37)38)2-3-16(15)49(39,40)41)32-31-11-5-14-13(18(7-11)51(45,46)47)4-10(6-17(14)50(42,43)44)28-22-19(25)21(26)29-24(27)30-22;;;;/h2-8,20H,1H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4
• InChIKey: LFRDJTHJKWNVQJ-UHFFFAOYSA-J