U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H26O2
Molecular Weight 358.4727
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIETHYLSTILBESTROL MONOBENZYL ETHER

SMILES

CC\C(=C(\CC)C1=CC=C(OCC2=CC=CC=C2)C=C1)C3=CC=C(O)C=C3

InChI

InChIKey=FVLDPSZNPFWQQP-OCOZRVBESA-N
InChI=1S/C25H26O2/c1-3-24(20-10-14-22(26)15-11-20)25(4-2)21-12-16-23(17-13-21)27-18-19-8-6-5-7-9-19/h5-17,26H,3-4,18H2,1-2H3/b25-24+

HIDE SMILES / InChI

Molecular Formula C25H26O2
Molecular Weight 358.4727
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
DWY5LU966C
Record Status Validated (UNII)
Record Version