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Procion Reactive Red 4
[CAS# 16480-43-6]

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CAS#: 16480-43-6
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Identification
Name Procion Reactive Red 4
Synonyms Tetrasodium (3E)-5-(Benzoylamino)-3-[[5-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Tetrasodium (3E)-3-[[5-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Hydrazono]-4-Oxo-5-[(Oxo-Phenylmethyl)Amino]Naphthalene-2,7-Disulfonate; Tetrasodium (3E)-5-(Benzoylamino)-3-[[5-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonate
Molecular Structure CAS#: 16480-43-6, Procion Reactive Red 4
Molecular Formula C32H19ClN8Na4O14S4
Molecular Weight 995.20
CAS Registry Number 16480-43-6 (17681-50-4)
SMILES C2=C([S]([O-])(=O)=O)C=C(NC(=O)C1=CC=CC=C1)C6=C2C=C([S]([O-])(=O)=O)/C(=N/NC3=C([S]([O-])(=O)=O)C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=C([S]([O-])(=O)=O)C=C5)Cl)C6=O.[Na+].[Na+].[Na+].[Na+]
InChI 1S/C32H23ClN8O14S4.4Na/c33-30-37-31(34-18-6-9-20(10-7-18)56(44,45)46)39-32(38-30)35-19-8-11-24(58(50,51)52)22(14-19)40-41-27-25(59(53,54)55)13-17-12-21(57(47,48)49)15-23(26(17)28(27)42)36-29(43)16-4-2-1-3-5-16;;;;/h1-15,40H,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,34,35,37,38,39);;;;/q;4*+1/p-4/b41-27-;;;;
InChIKey HMBFFLCYQUKBIW-FORSLLQSSA-J
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