U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry MIXED
Molecular Formula C17H24Cl2O3
Molecular Weight 347.277
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICHLORPROP-2-ETHYLHEXYL

SMILES

CCCCC(CC)COC(=O)C(C)OC1=CC=C(Cl)C=C1Cl

InChI

InChIKey=CEEDFYRUPAWDOU-UHFFFAOYSA-N
InChI=1S/C17H24Cl2O3/c1-4-6-7-13(5-2)11-21-17(20)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H24Cl2O3
Molecular Weight 347.277
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
CZ6JK4I9XC
Record Status Validated (UNII)
Record Version