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Direct Blue 162
[CAS# 6535-56-4]

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CAS#: 6535-56-4
Product: Direct Blue 162
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Identification
Name Direct Blue 162
Synonyms Tetrasodium 5,5'-(Iminobis((1-Hydroxy-3-Sulphonato-6,2-Naphthylene)Azo(5-Methoxy-2-Methyl-4,1-Phenylene)Azo))Bis(Salicylate)
Molecular Structure CAS#: 6535-56-4, Direct Blue 162
Molecular Formula C50H35N9Na4O16S2
Molecular Weight 1173.96
CAS Registry Number 6535-56-4
EINECS 229-444-5
SMILES C1=C4C(=C(C(=C1[S]([O-])(=O)=O)N=NC3=C(C=C(N=NC2=CC=C(C(=C2)C([O-])=O)O)C(=C3)C)OC)O)C=CC(=C4)NC8=CC7=CC(=C(N=NC6=C(C=C(N=NC5=CC=C(C(=C5)C([O-])=O)O)C(=C6)C)OC)C(=C7C=C8)O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
InChI 1S/C50H39N9O16S2.4Na/c1-23-13-37(41(74-3)21-35(23)54-52-29-7-11-39(60)33(19-29)49(64)65)56-58-45-43(76(68,69)70)17-25-15-27(5-9-31(25)47(45)62)51-28-6-10-32-26(16-28)18-44(77(71,72)73)46(48(32)63)59-57-38-14-24(2)36(22-42(38)75-4)55-53-30-8-12-40(61)34(20-30)50(66)67;;;;/h5-22,51,60-63H,1-4H3,(H,64,65)(H,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4
InChIKey BZIVEMCPNYQFGG-UHFFFAOYSA-J
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