Direct Black 168 (tech grade)
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- structure.search.product.name Direct Black 168 (tech grade)
- Product Code: TRC-D494820
- CAS Number: 85631-88-5
- Brand: TRC
Product Overview
Product Code
TRC-D494820
CAS Number
Product Format
Neat
Molecular Formula
C34 H24 N9 Na3 O11 S3
Molecular Weight
899.772
Product Categories
Product Type
ContaminantDocumentation
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Product Information
Chemical Data
Analyte Name
Direct Black 168 (tech grade)
CAS Number
85631-88-5
Molecular Formula
C34 H24 N9 Na3 O11 S3
Molecular Weight
899.772
Accurate Mass
899.045
SMILES
NC1=CC(=O)C=C/C/1=N\Nc2ccc(Nc3ccc(cc3S(=O)(=O)O[Na])\N=N\c4c(N)c5C(=O)\C(=N/Nc6ccccc6)\C(=Cc5cc4S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc2
InChI
InChI=1S/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37-39H,35-36H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b41-25+,42-40+,43-33-;;;
IUPAC
[(3E)-5-amino-6-[(E)-[4-[4-[(2E)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]-3-sodiooxysulfonylphenyl]diazenyl]-4-oxo-3-(phenylhydrazinylidene)-7-sodiooxysulfonylnaphthalen-2-yl]sulfonyloxysodium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat