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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3S
Molecular Weight 172.202
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLBENZENESULFONIC ACID

SMILES

CC1=CC=CC=C1S(O)(=O)=O

InChI

InChIKey=LBLYYCQCTBFVLH-UHFFFAOYSA-N
InChI=1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C7H8O3S
Molecular Weight 172.202
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
4ZHF5BMF7N
Record Status Validated (UNII)
Record Version