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Details

Stereochemistry ACHIRAL
Molecular Formula 3C20H10N3O7S.2Cr.3Na
Molecular Weight 1482.084
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of ACID BLACK 52

SMILES

[Na+].[Na+].[Na+].[Cr+3].[Cr+3].[O-]C1=CC=C2C=CC=CC2=C1\N=N\C3=C([O-])C=C(C4=C3C=CC(=C4)[N+]([O-])=O)S([O-])(=O)=O.[O-]C5=CC=C6C=CC=CC6=C5\N=N\C7=C([O-])C=C(C8=C7C=CC(=C8)[N+]([O-])=O)S([O-])(=O)=O.[O-]C9=CC=C%10C=CC=CC%10=C9\N=N\C%11=C([O-])C=C(C%12=C%11C=CC(=C%12)[N+]([O-])=O)S([O-])(=O)=O

InChI

InChIKey=OCDKNPOQLLEKKZ-LMIIDPDQSA-E
InChI=1S/3C20H13N3O7S.2Cr.3Na/c3*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;;/h3*1-10,24-25H,(H,28,29,30);;;;;/q;;;2*+3;3*+1/p-9/b3*22-21+;;;;;

HIDE SMILES / InChI

Molecular Formula C20H10N3O7S
Molecular Weight 436.374
Charge -3
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cr
Molecular Weight 51.9961
Charge 3
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
C2VLY70GFU
Record Status Validated (UNII)
Record Version