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Details

Stereochemistry RACEMIC
Molecular Formula C15H13F2NO2S
Molecular Weight 309.331
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRL-40940

SMILES

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

InChI

InChIKey=YEAQNUMCWMRYMU-UHFFFAOYSA-N
InChI=1S/C15H13F2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)

HIDE SMILES / InChI

Molecular Formula C15H13F2NO2S
Molecular Weight 309.331
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
174R2IG4T0
Record Status Validated (UNII)
Record Version