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Reference substances

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IUPAC name:
Molecule E - constituent of Acid Brown 189:1

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C53H34N8Na4O16S4
Molecular weight:
1 259.1
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c%10cccc9c%10cccc9/N=N/c8cc(Cc5cc(/N=N/c2cccc1c2CC=CC1S([O-])(=O)=O)c(O)c(/N=N/c4cccc3c4cccc3S([O-])(=O)=O)c5O)c(O)c(/N=N/c7cccc6c7cccc6S([O-])(=O)=O)c8O
InChl:
1S/C53H38N8O16S4.4Na/c62-50-28(26-42(58-54-38-17-1-13-34-30(38)9-5-21-44(34)78(66,67)68)52(64)48(50)60-56-40-19-3-15-36-32(40)11-7-23-46(36)80(72,73)74)25-29-27-43(59-55-39-18-2-14-35-31(39)10-6-22-45(35)79(69,70)71)53(65)49(51(29)63)61-57-41-20-4-16-37-33(41)12-8-24-47(37)81(75,76)77;;;;/h1-9,11-24,26-27,45,62-65H,10,25H2,(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77);;;;/q;4*+1/p-4/b58-54+,59-55+,60-56+,61-57+;;;;
Structural formula:
Chemical structure

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