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Details

Stereochemistry ACHIRAL
Molecular Formula C9H17NO.C7H8O3S
Molecular Weight 327.439
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Triacetonamine tosilate

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC2(C)CC(=O)CC(C)(C)N2

InChI

InChIKey=IYLPVORUFDDDFK-UHFFFAOYSA-N
InChI=1S/C9H17NO.C7H8O3S/c1-8(2)5-7(11)6-9(3,4)10-8;1-6-2-4-7(5-3-6)11(8,9)10/h10H,5-6H2,1-4H3;2-5H,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

Molecular Formula C9H17NO
Molecular Weight 155.2374
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

PubMed

Substance Class Chemical
Record UNII
FA9785SJD6
Record Status Validated (UNII)
Record Version