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General information

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Reference substance information

IUPAC name:
Molecule D - contituent of Acid Brown 189:1

Molecular and structural information

Molecular formula:
C27H20N4Na2O9S2
Molecular weight:
ca. 654.579
SMILES notation:
[Na+].[Na+].[O-]S(=O)(=O)c5cccc4c5cccc4/N=N/c3c(O)c(CO)cc(/N=N/c2cccc1c2CC=CC1S([O-])(=O)=O)c3O
InChl:
1S/C27H22N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-1-7-18-16(20)5-3-11-23(18)41(35,36)37)27(34)25(26(15)33)31-29-21-10-2-8-19-17(21)6-4-12-24(19)42(38,39)40;;/h1-4,6-13,23,32-34H,5,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-28+,31-29+;;
Structural formula:
Chemical structure