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Acid Blue 3 calcium

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For Research Use Only | Not For Clinical Use
CATAPS3536490
CAS3536-49-0
Structure
SynonymsE 131 Patent Blue, Patent Blue V Sodium Salt 36001, C.I. Food Blue 5, C.I. Acid Blue 3, Solar Pure Blue VX, Patent Blue, Patent Blue V Carmine Blue V, Carmine Blue V, Vitasyn Patent Blue V 85, New Patent Blue A-CE Extra, C.I. Acid Blue 3 calcium salt (2:1), Sicovit Patent Blue 85E131, Blue ZN 3, New Patent Blue Extra Pure A, Dai-ei Acid Pure Blue VX, Merantine Blue V, Patent Blue V Calcium Salt 90146, Acid Blue 3,N-[4-[[4-(Diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium inner salt calcium salt (2:1), Cogilor Blue 517.11, Acidal Carmine V, C.I. 42051, Vitasyn Patent Blue V 50, N-[4-[[4-(Diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium hydroxide inner salt calcium salt (2:1), Patent Blue V, Food Blue 5, Mitsui Acid Pure Blue VX, E 131, Patent Blue V Calcium Salt 36017, Ariavit Patent Blue V
IUPAC Namecalcium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
Molecular Weight1159.43
Molecular Formula2C27H31N2O7S2.Ca
Canonical SMILES[Ca+2].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(O)c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-].CCN(CC)c4ccc(cc4)C(=C5C=CC(=[N+](CC)CC)C=C5)c6cc(O)c(cc6S(=O)(=O)[O-])S(=O)(=O)[O-]
InChIInChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33
Accurate Mass1158.2771
FormatNeat
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryDyes and metabolites
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