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Details

Stereochemistry ACHIRAL
Molecular Formula C12H4N6O14S
Molecular Weight 488.257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Picryl sulfone

SMILES

[O-][N+](=O)C1=CC(=C(C(=C1)[N+]([O-])=O)S(=O)(=O)C2=C(C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=LBSKWFDEDNVDAU-UHFFFAOYSA-N
InChI=1S/C12H4N6O14S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)33(31,32)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H

HIDE SMILES / InChI

Molecular Formula C12H4N6O14S
Molecular Weight 488.257
Charge 0
Count
MOL RATIO 1 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
3QSN5TRN6Q
Record Status Validated (UNII)
Record Version