Trisodium (3Z)-5-[[4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Benzoyl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazinylidene]Naphthalene-2,7-Disulfonate
[CAS# 72152-49-9]

Identification

• Name: Trisodium (3Z)-5-[[4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Benzoyl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazinylidene]Naphthalene-2,7-Disulfonate
• Synonyms: Trisodium (3Z)-5-[[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Benzoyl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[[[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Phenyl]-Oxomethyl]Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Benzoyl]Amino]-4-Keto-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₇H₁₄ClF₂N₆Na₃O₁₁S₃
• Molecular Weight: 837.04
• CAS Registry Number: 72152-49-9
• EINECS: 276-403-2
• SMILES: C3=C([S]([O-])(=O)=O)C=C(NC(=O)C2=CC=C(NC1=C(Cl)C(=NC(=N1)F)F)C=C2)C5=C3C=C([S]([O-])(=O)=O)\C(=N/NC4=CC=CC=C4[S]([O-])(=O)=O)C5=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,35H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b36-22+
• InChIKey: WNCYDNQVDDEDDC-AYYLUVJUSA-K