Trisodium (6Z)-4-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-5-Oxo-6-[(2-Sulfonatophenyl)Hydrazinylidene]Naphthalene-1,7-Disulfonate
[CAS# 75198-87-7]

Identification

• Name: Trisodium (6Z)-4-[(5-Chloro-2-Fluoro-6-Methylpyrimidin-4-Yl)Amino]-5-Oxo-6-[(2-Sulfonatophenyl)Hydrazinylidene]Naphthalene-1,7-Disulfonate
• Synonyms: Trisodium (6Z)-4-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-5-Oxo-6-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-1,7-Disulfonate; Trisodium (6Z)-4-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-5-Oxo-6-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-1,7-Disulfonate; Trisodium (6Z)-4-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-5-Keto-6-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-1,7-Disulfonate
• Molecular Formula: C₂₁H₁₂ClFN₅Na₃O₁₀S₃
• Molecular Weight: 713.95
• CAS Registry Number: 75198-87-7
• SMILES: C1=CC(=C3C(=C1[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)\C(=N/NC2=CC=CC=C2[S]([O-])(=O)=O)C3=O)NC4=NC(=NC(=C4Cl)C)F.[Na+].[Na+].[Na+]
• InChI: 1S/C21H15ClFN5O10S3.3Na/c1-9-17(22)20(26-21(23)24-9)25-12-6-7-13(39(30,31)32)10-8-15(41(36,37)38)18(19(29)16(10)12)28-27-11-4-2-3-5-14(11)40(33,34)35;;;/h2-8,27H,1H3,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b28-18+
• InChIKey: ONHUDZVCVJRHHT-SPFPQBDISA-K