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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16N6O6S2.2Na
Molecular Weight 534.476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Disodium 4,4’-(2,4-diamino-5-methyl-1,3-phenylenebisazo)dibenzenesulfonate

SMILES

[Na+].[Na+].CC1=CC(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)=C(N)C(\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)=C1N

InChI

InChIKey=QNDVPOIZQPHPLL-WUROJHRBSA-L
InChI=1S/C19H18N6O6S2.2Na/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31;;/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/b24-22+,25-23+;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H16N6O6S2
Molecular Weight 488.497
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2YWZ7Y88JZ
Record Status Validated (UNII)
Record Version