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Details

Stereochemistry RACEMIC
Molecular Formula C16H22ClN3O
Molecular Weight 307.818
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEBUCONAZOLE

SMILES

CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN2C=NC=N2

InChI

InChIKey=PXMNMQRDXWABCY-UHFFFAOYSA-N
InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H22ClN3O
Molecular Weight 307.818
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

Substance Class Chemical
Record UNII
401ATW8TRW
Record Status Validated (UNII)
Record Version