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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H2N3O7.Zn.9H2O
Molecular Weight 683.738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC PICRATE NONAHYDRATE

SMILES

O.O.O.O.O.O.O.O.O.[Zn++].[O-]C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.[O-]C2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=SQJSSHPWISSGPL-UHFFFAOYSA-L
InChI=1S/2C6H3N3O7.9H2O.Zn/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;;;;;;;;;/h2*1-2,10H;9*1H2;/q;;;;;;;;;;;+2/p-2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
MOL RATIO 9 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H3N3O7
Molecular Weight 229.1039
Charge 0
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
0057VRD75N
Record Status Validated (UNII)
Record Version