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Details

Stereochemistry ACHIRAL
Molecular Formula C20H26O3
Molecular Weight 314.4186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 4-OXOTRETINOIN

SMILES

CC(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(C)=C/C(O)=O

InChI

InChIKey=GGCUJPCCTQNTJF-FRCNGJHJSA-N
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+

HIDE SMILES / InChI

Molecular Formula C20H26O3
Molecular Weight 314.4186
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
CJN45G18UA
Record Status Validated (UNII)
Record Version