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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26O4
Molecular Weight 342.4287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6,8-NONATETRAENOIC ACID, 9-(3-(HYDROXYMETHYL)-4-METHOXY-2,6-DIMETHYLPHENYL)-3,7-DIMETHYL-, (Z,E,E,E)-

SMILES

COC1=C(CO)C(C)=C(\C=C\C(C)=C\C=C\C(C)=C/C(O)=O)C(C)=C1

InChI

InChIKey=RLQSWUCIYPVVGO-FKNMPVQUSA-N
InChI=1S/C21H26O4/c1-14(7-6-8-15(2)11-21(23)24)9-10-18-16(3)12-20(25-5)19(13-22)17(18)4/h6-12,22H,13H2,1-5H3,(H,23,24)/b8-6+,10-9+,14-7+,15-11-

HIDE SMILES / InChI

Molecular Formula C21H26O4
Molecular Weight 342.4287
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:09:26 GMT 2025
Edited
by admin
on Wed Apr 02 09:09:26 GMT 2025
Record UNII
ZE60R9J1EH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6,8-NONATETRAENOIC ACID, 9-(3-(HYDROXYMETHYL)-4-METHOXY-2,6-DIMETHYLPHENYL)-3,7-DIMETHYL-, (Z,E,E,E)-
Systematic Name English
ACITRETIN METABOLITE III
Preferred Name English
Code System Code Type Description
PUBCHEM
154731619
Created by admin on Wed Apr 02 09:09:26 GMT 2025 , Edited by admin on Wed Apr 02 09:09:26 GMT 2025
PRIMARY
CAS
121785-73-7
Created by admin on Wed Apr 02 09:09:26 GMT 2025 , Edited by admin on Wed Apr 02 09:09:26 GMT 2025
PRIMARY
FDA UNII
ZE60R9J1EH
Created by admin on Wed Apr 02 09:09:26 GMT 2025 , Edited by admin on Wed Apr 02 09:09:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE