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Details

Stereochemistry RACEMIC
Molecular Formula C14H17Cl2N3O
Molecular Weight 314.21
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXACONAZOLE

SMILES

CCCCC(O)(CN1C=NC=N1)C2=CC=C(Cl)C=C2Cl

InChI

InChIKey=STMIIPIFODONDC-UHFFFAOYSA-N
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H17Cl2N3O
Molecular Weight 314.21
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
SX9R3X1FQV
Record Status Validated (UNII)
Record Version