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Details

Stereochemistry ACHIRAL
Molecular Formula C20H26O3
Molecular Weight 314.4186
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 4-OXOISOTRETINOIN

SMILES

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

InChI

InChIKey=GGCUJPCCTQNTJF-FAOQNJJDSA-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
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 17:40:59 UTC 2019
Edited
by admin
on Tue Oct 22 17:40:59 UTC 2019
Record UNII
6OSQ6Z89RP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-OXOISOTRETINOIN
Common Name English
4-OXO-13-CIS-RETINOIC ACID
Common Name English
13-CIS-4-OXORETINOIC ACID
Common Name English
OXO-13-CIS-RETINOIC ACID, 4-
Common Name English
RO-22-6595
Code English
Code System Code Type Description
CAS
71748-58-8
Created by admin on Tue Oct 22 17:40:59 UTC 2019 , Edited by admin on Tue Oct 22 17:40:59 UTC 2019
PRIMARY
PUBCHEM
6437087
Created by admin on Tue Oct 22 17:40:59 UTC 2019 , Edited by admin on Tue Oct 22 17:40:59 UTC 2019
PRIMARY
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MAJOR
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