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Merck
CN

C3801

Chicago Sky Blue 6B

Synonym(s):

Direct Blue 1, Pontamine sky blue

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About This Item

Empirical Formula (Hill Notation):
C34H24N6Na4O16S4
CAS Number:
Molecular Weight:
992.80
Colour Index Number:
24410
UNSPSC Code:
12171500
EC Number:
220-026-8
MDL number:
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composition

Dye content, ≥30%

SMILES string

[Na+].[Na+].[Na+].[Na+].COc1cc(ccc1\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)-c4ccc(\N=N\c5ccc6c(cc(c(N)c6c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c4

InChI

1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;

InChI key

BPHHNXJPFPEJOF-GPTZEZBUSA-J

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