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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9O3S.H4N
Molecular Weight 203.259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM 2,3-DIMETHYLBENZENESULFONATE

SMILES

[NH4+].CC1=C(C)C(=CC=C1)S([O-])(=O)=O

InChI

InChIKey=MPYVAOBZGSNBFX-UHFFFAOYSA-N
InChI=1S/C8H10O3S.H3N/c1-6-4-3-5-8(7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
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 C8H10O3S
Molecular Weight 186.228
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
F62479CQ2B
Record Status Validated (UNII)
Record Version