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Details

Stereochemistry ACHIRAL
Molecular Formula C6H7N3O2.H2O4S
Molecular Weight 251.217
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITRO-O-PHENYLENEDIAMINE SULFATE

SMILES

OS(O)(=O)=O.NC1=CC=C(C=C1N)[N+]([O-])=O

InChI

InChIKey=JOCYNLSMOXUCGV-UHFFFAOYSA-N
InChI=1S/C6H7N3O2.H2O4S/c7-5-2-1-4(9(10)11)3-6(5)8;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
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

Molecular Formula C6H7N3O2
Molecular Weight 153.1387
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
L1E2M78P4W
Record Status Validated (UNII)
Record Version