Product Name :
DIRECT BLUE 6
Specifications & Purity :
analytical standard
CAS :
2602-46-2
Formula:
C32H20N6Na4O14S4
Molecular Weight :
932.763
MDL number:
Synonyms :
C.I. 1251005-61-4 uses 578729-05-2 Data Sheet Direct Blue 6|2602-46-2|DIRECT BLUE 6|Airedale Blue 2BD|Direct Sky Blue K|Direct Blue 2B|Indigo Blue 2B|Kayaku direct|Diamine Blue BB|Chlorazol Blue B|Direct Blue A|Direct Blue BB|Direct Blue GS|Direct Blue K|Nippon Blue BB|Azocard Blue 2B|Azomine Bl
Shipped In:
Normal
IUPAC Name :
tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
INCHI :
InChI=1S/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4
InChi Key:
MPCYPRXRVWZKGF-UHFFFAOYSA-J
Canonical SMILES:
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES:
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+]
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