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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28O3
Molecular Weight 328.4452
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of METHYL-4-OXORETINOATE

SMILES

COC(=O)\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C

InChI

InChIKey=VTSFDGSDUILKPM-XPSLGPGOSA-N
InChI=1S/C21H28O3/c1-15(8-7-9-16(2)14-20(23)24-6)10-11-18-17(3)19(22)12-13-21(18,4)5/h7-11,14H,12-13H2,1-6H3/b9-7+,11-10+,15-8+,16-14+

HIDE SMILES / InChI

Molecular Formula C21H28O3
Molecular Weight 328.4452
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 Tue Apr 01 19:46:22 GMT 2025
Edited
by admin
on Tue Apr 01 19:46:22 GMT 2025
Record UNII
4Z6E163445
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-4-OXORETINOATE
Common Name English
METHYL 4-KETORETINOATE
Preferred Name English
RETINOIC ACID, 4-OXO-, METHYL ESTER
Systematic Name English
METHYL 4-OXORETINOATE
Common Name English
Code System Code Type Description
CAS
38030-58-9
Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025
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FDA UNII
4Z6E163445
Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025
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EPA CompTox
DTXSID401294008
Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025
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PUBCHEM
10381862
Created by admin on Tue Apr 01 19:46:22 GMT 2025 , Edited by admin on Tue Apr 01 19:46:22 GMT 2025
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